Sugi Predict

Sugi Predict / Compounds / SCHEMBL78462

SCHEMBL78462

SCHEMBL78462

CC[C@@H]1C(C(=O)N(Cc2cccc(Cl)c2Cl)C2CC2)=C(c2ccc(OCCOc3c(C)cccc3C)cc2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.52
▸ REN P00797 19/20 0.51

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
SCHEMBL78486 0.95 CYP3A4 (0.54) CYP3A4REN
SCHEMBL78833 0.93 CYP3A4 (0.61) CYP3A4REN
SCHEMBL78784 0.92 REN (0.61) CYP3A4REN
SCHEMBL65001 0.91 REN (0.49) CYP3A4REN
SCHEMBL65821 0.90 CYP3A4 (0.54) CYP3A4REN
SCHEMBL65820 0.90 CYP3A4 (0.54) CYP3A4REN
SCHEMBL65227 0.89 CYP3A4 (0.53) CYP3A4REN
SCHEMBL65228 0.89 CYP3A4 (0.53) CYP3A4REN
SCHEMBL79513 0.89 REN (0.46) CYP3A4REN
SCHEMBL80038 0.87 CYP3A4 (0.52) CYP3A4REN

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