SCHEMBL5345503

SCHEMBL5345503

CCOC(=O)c1cn2c(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)nc2nc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.47
GABRA2 P47869 3/20 0.46
GABRB2 P47870 3/20 0.46
DPP4 P27487 1/20 0.46
DPP8 Q6V1X1 1/20 0.46
DPP9 Q86TI2 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP19A1 P11511 1/20 0.45
TP53 P04637 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
DCTPP1 Q9H773 1/20 0.43
TARBP2 Q15633 1/20 0.43
POLB P06746 2/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL5344739 0.84 PTGS2 (0.43) HSD17B10DPP4DPP8DPP9KDM4E
SCHEMBL5322122 0.81 CNR1 (0.41) DPP4DPP8DPP9KDM4ESMN1; SMN2
SCHEMBL5355542 0.79 CNR1 (0.59) HSD17B10KDM4EALDH1A1HPGDTP53
SCHEMBL5318690 0.79 CNR1 (0.58) GABRA2GABRB2DPP4DPP8DPP9
SCHEMBL5337361 0.78 CNR1 (0.60) GABRA2GABRB2DPP4DPP8DPP9
SCHEMBL5350264 0.78 CNR1 (0.60) GABRA2GABRB2DPP4DPP8DPP9
SCHEMBL5348576 0.77 AKT1 (0.65) GABRA2GABRB2CYP1A2CYP2C9CYP2C19
SCHEMBL5323774 0.76 CNR1 (0.43) DPP4DPP8DPP9KDM4EALDH1A1
SCHEMBL5340340 0.76 SLC2A1 (0.64) GABRA2GABRB2CYP1A2CYP2C9CYP2C19
SCHEMBL5338476 0.75 GABRA2 (0.48) HSD17B10GABRA2GABRB2CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007096764-A2 BICYCLIC HETEROARYL DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS GLENMARK PHARMACEUTICALS S.A. (US) 2007-08-30 WO disclosed