SCHEMBL64604

SCHEMBL64604

CC(C)(C)[Si](C)(C)OCC1CC(c2ccc(OCCOc3ccccc3Cl)cc2)=C(C(=O)N(Cc2cccc(Cl)c2Cl)C2CC2)CN1C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 19/20 0.52
CYP3A4 P08684 1/20 0.44

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
SCHEMBL91368 0.90 REN (0.51) RENCYP3A4
SCHEMBL65367 0.88 REN (0.38) RENCYP3A4
SCHEMBL65792 0.87 PPARA (0.39) REN
SCHEMBL65471 0.86 REN (0.51) RENCYP3A4
SCHEMBL64056 0.84 PPARG (0.38) REN
SCHEMBL78854 0.82 PPARG (0.40) REN
SCHEMBL64503 0.82 PPARA (0.33) CYP3A4
SCHEMBL78866 0.80 PPARG (0.36) REN
SCHEMBL91348 0.79 REN (0.50) RENCYP3A4
SCHEMBL64233 0.79 CHRM5 (0.35) CYP3A4

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