SCHEMBL2789449

SCHEMBL2789449

COCCCn1c(C2CCCN(C(=O)C[C@H](N)Cc3ccc4nc(N)sc4c3)C2)cc2c(F)cccc21

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CFD P00746 3/20 0.35
CNR2 P34972 1/20 0.35
DPP4 P27487 9/20 0.33
DPP7 Q9UHL4 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
DPP8 Q6V1X1 2/20 0.33
DPP9 Q86TI2 2/20 0.33
PROKR1 Q8TCW9 2/20 0.32
PADI4 Q9UM07 1/20 0.32

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
SCHEMBL2792686 0.89 DPP4 (0.34) CFDDPP4DPP7CYP1A2CYP3A4
SCHEMBL2789823 0.85 CNR2 (0.31) CNR2
SCHEMBL2789341 0.82 CNR2 (0.37) CFDCNR2DPP4DPP7CYP3A4
SCHEMBL2792440 0.82 CNR2 (0.36) CFDCNR2DPP4DPP7DPP8
SCHEMBL2791998 0.81 CNR2 (0.35) CFDCNR2DPP4DPP7DPP8
SCHEMBL2790195 0.79 AKT1 (0.35) CFDCNR2DPP4PADI4
SCHEMBL2791483 0.79 CNR2 (0.33) CFDCNR2DPP4DPP7
SCHEMBL2791066 0.78 PROKR1 (0.39) DPP4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2789378 0.76 PIK3CA (0.33) DPP4DPP7CYP1A2CYP3A4CYP2D6
SCHEMBL2792058 0.76 CNR2 (0.48) CNR2CYP3A4PADI4

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-2010111634-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 WO disclosed