SCHEMBL742244

SCHEMBL742244

COCCCn1c([C@@H]2CCCN(C(=O)C[C@H](N)Cc3ccc(-c4ccc5c(c4)SCC(=O)N5)cc3)C2)nc2c(F)cccc21

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CFD P00746 2/20 0.34
CYP2D6 P10635 1/20 0.31
HRH1 P35367 1/20 0.31
DPP4 P27487 3/20 0.30
DPP9 Q86TI2 1/20 0.30
CTSC P53634 1/20 0.30

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
SCHEMBL742245 1.00 CFD (0.34) CFDCYP2D6HRH1DPP4DPP9
SCHEMBL741160 0.93 BTK (0.31) CFDDPP4CTSC
SCHEMBL741161 0.93 BTK (0.31) CFDDPP4CTSC
SCHEMBL741416 0.91 CFD (0.36) CFDCYP2D6HRH1
SCHEMBL741417 0.91 CFD (0.36) CFDCYP2D6HRH1
SCHEMBL740294 0.90 CFD (0.37) CFDCYP2D6HRH1DPP4CTSC
SCHEMBL742026 0.90 CFD (0.37) CFDCYP2D6HRH1DPP4CTSC
SCHEMBL2791483 0.89 CNR2 (0.33) CFDDPP4CTSC
SCHEMBL741797 0.89 LIPG (0.35) CFDCTSC
SCHEMBL741798 0.89 LIPG (0.35) CFDCTSC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US claimed
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed