SCHEMBL2553028

SCHEMBL2553028

C[C@H](N)Cc1n[nH]c2cc(O)ccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.48
HTR1A P08908 1/20 0.48
HTR1D P28221 1/20 0.48
HTR1B P28222 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2B P41595 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
NFKB1 P19838 1/20 0.48
CYP2C19 P33261 1/20 0.48
PDPK1 O15530 1/20 0.47
HSP90AB1 P08238 1/20 0.47
ESR1 P03372 1/20 0.45
TAAR1 Q96RJ0 3/20 0.42
SLC6A2 P23975 1/20 0.42
JAK1 P23458 3/20 0.41
JAK2 O60674 2/20 0.41
TYK2 P29597 2/20 0.41
JAK3 P52333 2/20 0.41

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
SCHEMBL6543491 1.00 HTR2C (0.48) HTR2CHTR1AHTR1DHTR1BHTR2A
SCHEMBL7587263 1.00 HTR2C (0.48) HTR2CHTR1AHTR1DHTR1BHTR2A
SCHEMBL5987890 0.88 HTR2A (0.55) HTR2CHTR1AHTR1DHTR1BHTR2A
Hydrochloric Acid SCHEMBL5989450 0.87 HTR1A (0.54) HTR2CHTR1AHTR1DHTR1BHTR2A
SCHEMBL27577588 0.80 MAPK1 (0.46) HTR2CHTR1AHTR1DHTR1BHTR2A
SCHEMBL176792 0.79 PDPK1 (0.54) PDPK1HSP90AB1ESR1JAK1JAK2
SCHEMBL27595583 0.78 PRKAB2 (0.46) HTR2CHTR1AHTR1DHTR1BHTR2A
Hydrochloric Acid SCHEMBL177126 0.78 PDPK1 (0.53) PDPK1HSP90AB1ESR1JAK1JAK2
SCHEMBL5989957 0.78 SLC6A2 (0.50) HTR2CHTR1AHTR1DHTR1BHTR2A
SCHEMBL30166149 0.78 SLC6A2 (0.50) HTR2CHTR1AHTR1DHTR1BHTR2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2555749-A2 SUSTAINED-RELEASE RESERVOIR IMPLANTS FOR INTRACAMERAL DRUG DELIVERY Allergan, Inc. (US) 2013-02-13 EP disclosed
WO-2011127064-A2 SUSTAINED-RELEASE RESERVOIR IMPLANTS FOR INTRACAMERAL DRUG DELIVERY ALLERGAN, INC. (US) 2011-10-13 WO disclosed
EP-2066300-A2 SELF-PRESERVED AQUEOUS PHARMACEUTICAL COMPOSITIONS Alcon Research, Ltd. (US) 2009-06-10 EP disclosed
WO-2009021155-A1 HISTONE DEACETYLASE INHIBITORS FOR TREATING DEGENERATIVE DISEASES OF THE EYE ALCON, INC. (CH) 2009-02-12 WO disclosed
WO-2009012075-A1 USE OF IOP-LOWERING AGENTS FOR TREATING PRIMARY AND SECONDARY FORMS OF GLAUCOMA ALCON, INC. (CH) 2009-01-22 WO disclosed
EP-1945225-A2 METHOD FOR TREATING PRIMARY AND SECONDARY FORMS OF GLAUCOMA Alcon, Inc. (CH) 2008-07-23 EP disclosed
WO-2008042619-A2 SELF-PRESERVED AQUEOUS PHARMACEUTICAL COMPOSITIONS ALCON RESEARCH, LTD. (US) 2008-04-10 WO disclosed
WO-2008016989-A1 PROCESS FOR PREPARING PYRANOINDAZOLE SEROTONERGIC RECEPTOR AGONISTS ALCON RESEARCH, LTD. (US) 2008-02-07 WO disclosed
WO-2007047744-A2 METHOD FOR TREATING PRIMARY AND SECONDARY FORMS OF GLAUCOMA ALCON, INC. (CH) 2007-04-26 WO disclosed