SCHEMBL498955

SCHEMBL498955

CNC[C@H](CC1CCCCC1)NC(=O)N(CC[C@@H](OCCN(C)C(=O)O)c1cccc(Cl)c1)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.51
CYP3A4 P08684 2/20 0.48

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
SCHEMBL499078 1.00 REN (0.51) RENCYP3A4
SCHEMBL498909 0.93 REN (0.53) RENCYP3A4
SCHEMBL498194 0.93 REN (0.53) RENCYP3A4
SCHEMBL499032 0.90 REN (0.51) RENCYP3A4
SCHEMBL498880 0.90 REN (0.53) RENCYP3A4
SCHEMBL4754334 0.90 REN (0.53) RENCYP3A4
SCHEMBL3340015 0.90 REN (0.53) RENCYP3A4
SCHEMBL499579 0.89 REN (0.53) RENCYP3A4
SCHEMBL499578 0.89 REN (0.53) RENCYP3A4
SCHEMBL10254146 0.88 REN (0.62) 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-8106221-B2 Renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2012-01-31 US claimed
US-8106221-B2 Renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed