SCHEMBL8079335

SCHEMBL8079335

CCCCCCCCCCCCc1c[nH]c2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.64
MTNR1A P48039 2/20 0.63
ALOX12 P18054 1/20 0.60
HTR2A P28223 5/20 0.59
HTR1A P08908 4/20 0.59
HTR6 P50406 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
NPC1 O15118 1/20 0.59
CYP3A4 P08684 3/20 0.59
HTR2C P28335 2/20 0.59
CYP1A2 P05177 2/20 0.59
CYP2D6 P10635 2/20 0.59
MPO P05164 1/20 0.59
CYP2A6 P11509 1/20 0.59
NFKB1 P19838 1/20 0.59
HTR1D P28221 1/20 0.59
HTR1B P28222 1/20 0.59
HTR7 P34969 1/20 0.59
CTSK P43235 1/20 0.59
CYP2A13 Q16696 1/20 0.59

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13856893 1.00 SLC6A4 (0.64) SLC6A4MTNR1AALOX12HTR2AHTR1A
SCHEMBL20648101 1.00 SLC6A4 (0.64) SLC6A4MTNR1AALOX12HTR2AHTR1A
SCHEMBL22582285 1.00 SLC6A4 (0.64) SLC6A4MTNR1AALOX12HTR2AHTR1A
SCHEMBL1563873 1.00 SLC6A4 (0.64) SLC6A4MTNR1AALOX12HTR2AHTR1A
SCHEMBL24961938 1.00 SLC6A4 (0.64) SLC6A4MTNR1AALOX12HTR2AHTR1A
SCHEMBL25140788 1.00 SLC6A4 (0.64) SLC6A4MTNR1AALOX12HTR2AHTR1A
SCHEMBL109955 0.98 SLC6A4 (0.66) SLC6A4MTNR1AALOX12HTR2AHTR1A
SCHEMBL266641 0.93 SLC6A4 (0.68) SLC6A4MTNR1AHTR2AHTR1AHTR6
Ammonia Solution, Strong SCHEMBL10491416 0.91 SLC6A4 (0.66) SLC6A4MTNR1AHTR2AHTR1AHTR6
SCHEMBL7001306 0.91 HTR2A (0.69) SLC6A4HTR2AHTR1AHTR6CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017160361-A1 POLYISOCYANURATE CATALYSTS FOR METAL PANELS AND SPRAY FOAMS HUNTSMAN PETROCHEMICAL LLC (US) 2017-09-21 WO claimed
US-6033601-A POLYMERIZED FROM A 1-SUBSTITUTED, 3-SUBSTITUTED OR 1,3-SUBSTITUTED INDOLE MONOMER AND A GAS SENSOR CONTAINING THIS POLYMER AS THE ACTIVE GAS SENSING ELEMENT. AROMASCAN PLC (GB) 2000-03-07 US claimed
EP-0797769-A1 SEMICONDUCTING ORGANIC POLYMERS AROMASCAN PLC (GB) 1997-10-01 EP claimed
WO-1996018888-A1 SEMICONDUCTING ORGANIC POLYMERS AROMASCAN PLC (GB) 1996-06-20 WO claimed
WO-2017160361-A1 POLYISOCYANURATE CATALYSTS FOR METAL PANELS AND SPRAY FOAMS HUNTSMAN PETROCHEMICAL LLC (US) 2017-09-21 WO disclosed
US-6033601-A POLYMERIZED FROM A 1-SUBSTITUTED, 3-SUBSTITUTED OR 1,3-SUBSTITUTED INDOLE MONOMER AND A GAS SENSOR CONTAINING THIS POLYMER AS THE ACTIVE GAS SENSING ELEMENT. AROMASCAN PLC (GB) 2000-03-07 US disclosed
EP-0797769-A1 SEMICONDUCTING ORGANIC POLYMERS AROMASCAN PLC (GB) 1997-10-01 EP disclosed
WO-1996018888-A1 SEMICONDUCTING ORGANIC POLYMERS AROMASCAN PLC (GB) 1996-06-20 WO disclosed
EP-0520012-B1 IMPROVED MULTIFUNCTIONAL VISCOSITY INDEX IMPROVER-DISPERSANT ANTIOXIDANT (PT-789) EXXON CHEMICAL PATENTS INC (US) 1995-02-15 EP disclosed
US-5376152-A Heterocyclic nitrogen compound mannich base derivatives of polyolefin-substituted amines for oleaginous compositions EXXON CHEMICAL PATENTS INC. (US) 1994-12-27 US disclosed
US-5376153-A Oil additive; dispersant, oxidation and wear resistance, flow control agent EXXON CHEMICAL PATENTS INC. (US) 1994-12-27 US disclosed
EP-0518949-B1 NOVEL HETEROCYCLIC NITROGEN COMPOUND MANNICH BASE DERIVATIVES OF AMINO-SUBSTITUTED POLYMERS FOR OLEAGINOUS COMPOSITIONS EXXON CHEMICAL PATENTS INC (US) 1994-06-22 EP disclosed
US-5273671-A Reaction product of ethylene/alpha-olefin copolymer, polyamine, aldehyde and a benzotriazole or benzimidazole EXXON CHEMICAL PATENTS INC. (US) 1993-12-28 US disclosed
US-5271856-A Heterocyclic nitrogen compound Mannich base derivatives of amino-substituted polymers for oleaginous compositions EXXON CHEMICAL PATENTS INC. (US) 1993-12-21 US disclosed
US-5232615-A Reacting an amine with halogenated polyolefin to form adduct and contacting adduct with an aldehyde and a heterocyclic reactant to form an oil soluble, oxidation resistance dispersant for fuels EXXON CHEMICAL PATENTS INC. (US) 1993-08-03 US disclosed
US-5211865-A Oil soluble ethylene copolymer with alpha-olefin and grafted carboxylic acid and anhydride with polyamine, an anhydride and heterocycle EXXON CHEMICAL PATENTS INC. (US) 1993-05-18 US disclosed
EP-0520012-A1 IMPROVED MULTIFUNCTIONAL VISCOSITY INDEX IMPROVER-DISPERSANT ANTIOXIDANT (PT-789). EXXON CHEMICAL PATENTS INC (US) 1992-12-30 EP disclosed
EP-0518949-A1 NOVEL HETEROCYCLIC NITROGEN COMPOUND MANNICH BASE DERIVATIVES OF AMINO-SUBSTITUTED POLYMERS FOR OLEAGINOUS COMPOSITIONS. EXXON CHEMICAL PATENTS INC (US) 1992-12-23 EP disclosed
WO-1991013954-A1 NOVEL HETEROCYCLIC NITROGEN COMPOUND MANNICH BASE DERIVATIVES OF AMINO-SUBSTITUTED POLYMERS FOR OLEAGINOUS COMPOSITIONS EXXON CHEMICAL PATENTS INC. (US) 1991-09-19 WO disclosed
WO-1991013952-A1 IMPROVED MULTIFUNCTIONAL VISCOSITY INDEX IMPROVER-DISPERSANT ANTIOXIDANT (PT-789) EXXON CHEMICAL PATENTS INC. (US) 1991-09-19 WO disclosed