SCHEMBL65630

SCHEMBL65630

COCOCC1C(C(=O)N(Cc2cccc(Cl)c2Cl)C2CC2)=C(c2ccc(OC)cc2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 19/20 0.45
CYP3A4 P08684 2/20 0.41

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
SCHEMBL65631 1.00 REN (0.45) RENCYP3A4
SCHEMBL64231 0.94 REN (0.42) RENCYP3A4
SCHEMBL64232 0.94 REN (0.42) RENCYP3A4
SCHEMBL65911 0.92 REN (0.51) RENCYP3A4
SCHEMBL65912 0.92 REN (0.51) RENCYP3A4
SCHEMBL79513 0.91 REN (0.46) RENCYP3A4
SCHEMBL65001 0.90 REN (0.49) RENCYP3A4
SCHEMBL65658 0.90 REN (0.41) RENCYP3A4
SCHEMBL65657 0.90 REN (0.41) RENCYP3A4
SCHEMBL64175 0.89 REN (0.58) RENCYP3A4

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
US-8129538-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-06 US disclosed