SCHEMBL2789341

SCHEMBL2789341

CNc1ccc(-c2ccc(C[C@@H](N)CC(=O)N3CCCC(c4cc5c(F)cccc5n4CCCOC)C3)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.37
CFD P00746 2/20 0.35
REN P00797 7/20 0.33
CYP3A4 P08684 3/20 0.33
DPP4 P27487 8/20 0.33
DPP7 Q9UHL4 1/20 0.32
GFER P55789 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
SCHEMBL2792440 0.89 CNR2 (0.36) CNR2CFDDPP4DPP7
SCHEMBL2791998 0.88 CNR2 (0.35) CNR2CFDDPP4DPP7
SCHEMBL2790195 0.87 AKT1 (0.35) CNR2CFDDPP4
SCHEMBL2791483 0.85 CNR2 (0.33) CNR2CFDDPP4DPP7
SCHEMBL2817352 0.82 PROKR1 (0.45) CNR2CFD
SCHEMBL2789449 0.82 CFD (0.35) CNR2CFDCYP3A4DPP4DPP7
SCHEMBL2789519 0.82 CNR2 (0.36) CNR2CFDDPP4DPP7
SCHEMBL7898489 0.81 DPP4 (0.38) CNR2CFDDPP4
SCHEMBL2791310 0.81 CNR2 (0.36) CNR2CFDCYP3A4DPP4
SCHEMBL2812030 0.81 CNR2 (0.36) CNR2CFDDPP4

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