SCHEMBL2791670

SCHEMBL2791670

COCCCn1c(C2CCCN(C(=O)CC(N)Cc3ccc(-c4ccc(O)nc4)cc3)C2)cc2c(F)ccc(F)c21

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CFD P00746 2/20 0.34
DPP4 P27487 17/20 0.34
DPP8 Q6V1X1 12/20 0.34
DPP7 Q9UHL4 10/20 0.34
DPP9 Q86TI2 6/20 0.34
KCNH2 Q12809 2/20 0.32
FAP Q12884 2/20 0.32
HTR2A P28223 1/20 0.32
PREP P48147 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
SCHEMBL2791666 1.00 CFD (0.34) CFDDPP4DPP8DPP7DPP9
SCHEMBL2790905 1.00 CFD (0.34) CFDDPP4DPP8DPP7DPP9
SCHEMBL2791724 1.00 CFD (0.34) CFDDPP4DPP8DPP7DPP9
SCHEMBL2788359 0.95 CFD (0.33) CFDDPP4DPP8DPP7DPP9
SCHEMBL2790418 0.94 CFD (0.35) CFDDPP4DPP8DPP7DPP9
SCHEMBL2792440 0.91 CNR2 (0.36) CFDDPP4DPP8DPP7DPP9
SCHEMBL2789055 0.89 CFD (0.33) CFDDPP4DPP8DPP7DPP9
SCHEMBL7897742 0.88 CFD (0.34) CFDDPP4DPP8DPP7DPP9
SCHEMBL7899334 0.87 CFD (0.35) CFDDPP4DPP8DPP7DPP9
SCHEMBL2789744 0.86 DPP4 (0.34) CFDDPP4DPP8DPP7DPP9

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