SCHEMBL7871795

SCHEMBL7871795

CC(=O)NCCc1ccccc1-c1onc([C@H]2CNCC[C@H]2O)c1C(C)=O

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.59
KCNH2 Q12809 19/20 0.59
CYP3A4 P08684 10/20 0.59

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
SCHEMBL7870646 0.80 REN (0.49) RENKCNH2CYP3A4
SCHEMBL556557 0.78 REN (0.56) RENKCNH2CYP3A4
SCHEMBL7872527 0.76 REN (0.61) RENKCNH2CYP3A4
SCHEMBL7864438 0.76 REN (0.62) RENKCNH2CYP3A4
SCHEMBL7872579 0.76 REN (0.64) RENKCNH2CYP3A4
SCHEMBL557655 0.75 REN (1.00) RENKCNH2CYP3A4
SCHEMBL7876061 0.75 REN (0.73) RENKCNH2CYP3A4
SCHEMBL557387 0.74 REN (1.00) RENKCNH2CYP3A4
SCHEMBL556479 0.69 REN (0.67) RENKCNH2CYP3A4
SCHEMBL10202623 0.68 REN (0.88) 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