SCHEMBL4648554

SCHEMBL4648554

O=C(O)c1cc(N(Cc2ccoc2)Cc2ccoc2)[nH]n1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 2/20 0.61
ALOX5 P09917 1/20 0.42
HCAR2 Q8TDS4 10/20 0.40
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.38
DAO P14920 1/20 0.37

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
SCHEMBL4648191 0.90 HCAR3 (0.51) HCAR3ALOX5HCAR2MEN1POLB
SCHEMBL4621634 0.81 HCAR2 (0.56) HCAR3HCAR2DAO
SCHEMBL4648492 0.78 HCAR2 (0.46) HCAR3HCAR2DAO
SCHEMBL4648485 0.76 HCAR2 (0.61) HCAR3HCAR2MEN1KMT2ATRPM8
SCHEMBL4647131 0.75 HCAR2 (0.62) HCAR3HCAR2MEN1KMT2A
SCHEMBL4648283 0.73 HCAR3 (0.61) HCAR3HCAR2MEN1POLBMAPT
SCHEMBL4645294 0.72 HCAR2 (0.38) HCAR3HCAR2MEN1POLBMAPT
SCHEMBL4621556 0.72 HCAR2 (0.43) HCAR3HCAR2TRPM8DAO
SCHEMBL4648872 0.72 HCAR3 (0.64) HCAR3HCAR2MEN1KMT2A
SCHEMBL4647495 0.71 HCAR3 (0.49) HCAR3ALOX5HCAR2MEN1POLB

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 2 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 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