SCHEMBL9224586

SCHEMBL9224586

CCCCc1cc(CCCC)c2[nH]ncc2c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 10/20 0.38
ADORA1 P30542 3/20 0.36
ADORA2A P29274 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TLR8 Q9NR97 2/20 0.35
ADORA2B P29275 2/20 0.35
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLA1 P09884 1/20 0.34

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
SCHEMBL9226687 0.94 TLR8 (0.42) TLR8
SCHEMBL9229239 0.87 ROCK2 (0.37) ADORA3
SCHEMBL21335718 0.84 TRPA1 (0.42) ADORA3ADORA1ADORA2ANPC1RAB9A
SCHEMBL18301334 0.83 MAPKAPK2 (0.37) ADORA3ADORA1ADORA2ANPC1RAB9A
SCHEMBL24264863 0.82 TRPA1 (0.39) ADORA3
SCHEMBL9222771 0.76 TRPA1 (0.39) NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL9299469 0.75 NOS1 (0.47) ADORA3ADORA1ADORA2AHPGDNPSR1
SCHEMBL9223010 0.72 ROCK2 (0.50) RAB9AHPGDMAPK1
SCHEMBL3399692 0.71 NOS1 (0.46) HPGDNPSR1TLR8TSHRSMN1; SMN2
SCHEMBL9222960 0.71 NPC1 (0.40) ADORA3ADORA2ANPC1RAB9AHPGD

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 14 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
WO-2017160361-A1 POLYISOCYANURATE CATALYSTS FOR METAL PANELS AND SPRAY FOAMS HUNTSMAN PETROCHEMICAL LLC (US) 2017-09-21 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