SCHEMBL91190

SCHEMBL91190

CC(C)(CCC1CC(c2cccc(-c3ccccc3)c2)=C(C(=O)N(Cc2cccc(Cl)c2Cl)C2CC2)CN1C(=O)OCc1ccccc1)[Si](C)(C)O

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
REN P00797 18/20 0.38
CYP3A4 P08684 2/20 0.37
SLC6A4 P31645 1/20 0.34

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
SCHEMBL65367 0.89 REN (0.38) RENCYP3A4
SCHEMBL91368 0.88 REN (0.51) RENCYP3A4
SCHEMBL91260 0.82 PPARA (0.35)
SCHEMBL64604 0.77 REN (0.52) RENCYP3A4
SCHEMBL65084 0.77 REN (0.37) RENCYP3A4
SCHEMBL91259 0.76 HTR2C (0.33)
SCHEMBL91348 0.74 REN (0.50) RENCYP3A4
SCHEMBL8264237 0.74 REN (0.45) RENCYP3A4
SCHEMBL8265425 0.71 REN (0.46) RENCYP3A4
SCHEMBL8263352 0.70 CYP3A4 (0.45) 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