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Sugi Predict / Compounds / SCHEMBL499128

SCHEMBL499128

SCHEMBL499128

CCCN(CC[C@H](OCCNC(=O)OC)c1cccc(Cl)c1)C(=O)N[C@@H](C[C@H]1CCCOC1)CN(C)C(=O)OCC[Si](C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 20/20 0.51
▸ CYP3A4 P08684 3/20 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
SCHEMBL499433 1.00 REN (0.51) RENCYP3A4
SCHEMBL499824 1.00 REN (0.51) RENCYP3A4
SCHEMBL3334053 0.92 REN (0.54) RENCYP3A4
SCHEMBL4755880 0.92 REN (0.54) RENCYP3A4
SCHEMBL3337309 0.92 REN (0.54) RENCYP3A4
SCHEMBL3334048 0.92 REN (0.54) RENCYP3A4
SCHEMBL3334056 0.92 REN (0.54) RENCYP3A4
SCHEMBL3335502 0.92 REN (0.54) RENCYP3A4
SCHEMBL3337304 0.92 REN (0.54) RENCYP3A4
SCHEMBL3334050 0.92 REN (0.54) 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-8106221-B2 Renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2012-01-31 — — US disclosed