SCHEMBL4621556

SCHEMBL4621556

Cc1ccc(CN(Cc2ccc(C)s2)c2cc(C(=O)O)n[nH]2)s1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 13/20 0.43
DAO P14920 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.40
RIPK1 Q13546 1/20 0.39
HCAR3 P49019 4/20 0.37
KDM4C Q9H3R0 1/20 0.36

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
SCHEMBL4645294 0.84 HCAR2 (0.38) HCAR2DAOHCAR3
SCHEMBL4648283 0.77 HCAR3 (0.61) HCAR2TRPM8HCAR3
SCHEMBL4621634 0.75 HCAR2 (0.56) HCAR2DAOHCAR3
SCHEMBL4648485 0.72 HCAR2 (0.61) HCAR2DAOTRPM8HCAR3KDM4C
SCHEMBL4648554 0.72 HCAR3 (0.61) HCAR2DAOTRPM8HCAR3
SCHEMBL4648492 0.71 HCAR2 (0.46) HCAR2DAOHCAR3
SCHEMBL4622789 0.71 HCAR2 (0.54) HCAR2DAOHCAR3
SCHEMBL4648280 0.69 HCAR3 (0.67) HCAR2TRPM8HCAR3
SCHEMBL4648632 0.69 HCAR3 (0.61) HCAR2DAORIPK1HCAR3
SCHEMBL4647131 0.68 HCAR2 (0.62) HCAR2RIPK1HCAR3KDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1899304-A1 5-AMINO-1H-PYRAZOLE-3-CARBOXYLIC ACID DERIVATIVES AS AGONISTS FOR THE G-PROTEIN COUPLED RECEPTOR (GPCR) RUP38 FOR THE TREATMENT OF METABOLIC-RELATED DISORDERS THEREOF Arena Pharmaceuticals, Inc. (US) 2008-03-19 EP claimed
WO-2006127595-A1 5-AMINOPYRAZOLE CARBOXYLIC ACID DERIVATIVES AND METHODS OF TREATMENT OF METABOLIC-RELATED DISORDERS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2006-11-30 WO claimed
EP-1899304-A1 5-AMINO-1H-PYRAZOLE-3-CARBOXYLIC ACID DERIVATIVES AS AGONISTS FOR THE G-PROTEIN COUPLED RECEPTOR (GPCR) RUP38 FOR THE TREATMENT OF METABOLIC-RELATED DISORDERS THEREOF Arena Pharmaceuticals, Inc. (US) 2008-03-19 EP disclosed
WO-2006127595-A1 5-AMINOPYRAZOLE CARBOXYLIC ACID DERIVATIVES AND METHODS OF TREATMENT OF METABOLIC-RELATED DISORDERS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2006-11-30 WO disclosed