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Sugi Predict / Compounds / SCHEMBL64175

SCHEMBL64175

SCHEMBL64175

COCOC[C@@H]1C(C(=O)N(Cc2cccc(Cl)c2Cl)C2CC2)=C(c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 19/20 0.58
▸ CYP3A4 P08684 1/20 0.57

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
SCHEMBL64174 1.00 REN (0.58) RENCYP3A4
SCHEMBL65911 0.96 REN (0.51) RENCYP3A4
SCHEMBL65912 0.96 REN (0.51) RENCYP3A4
SCHEMBL65001 0.94 REN (0.49) RENCYP3A4
SCHEMBL66311 0.92 REN (0.59) RENCYP3A4
SCHEMBL66312 0.92 REN (0.59) RENCYP3A4
SCHEMBL78833 0.91 CYP3A4 (0.61) RENCYP3A4
SCHEMBL80038 0.89 CYP3A4 (0.52) RENCYP3A4
SCHEMBL65630 0.89 REN (0.45) RENCYP3A4
SCHEMBL65631 0.89 REN (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 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