SCHEMBL7871265

SCHEMBL7871265

CC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)c(C)c1

nearest known ligand 0.85

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.85
KCNH2 Q12809 16/20 0.85
CYP3A4 P08684 2/20 0.62

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
SCHEMBL556921 0.92 REN (1.00) RENKCNH2CYP3A4
SCHEMBL556726 0.92 REN (1.00) RENKCNH2CYP3A4
SCHEMBL557351 0.88 REN (0.88) RENKCNH2CYP3A4
SCHEMBL10202576 0.85 REN (1.00) RENKCNH2CYP3A4
SCHEMBL10202578 0.85 REN (1.00) RENKCNH2CYP3A4
SCHEMBL7873280 0.85 REN (0.85) RENKCNH2CYP3A4
SCHEMBL10202485 0.84 REN (0.69) RENKCNH2CYP3A4
SCHEMBL10202479 0.84 REN (0.69) RENKCNH2CYP3A4
SCHEMBL10202579 0.84 REN (1.00) RENKCNH2CYP3A4
SCHEMBL7869106 0.83 REN (1.00) RENKCNH2CYP3A4

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
WO-2010114978-A1 RENIN INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-10-07 WO disclosed