SCHEMBL7871268

SCHEMBL7871268

Cc1cccc(Cl)c1-c1cc([C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)on1

nearest known ligand 0.88

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.88
KCNH2 Q12809 19/20 0.88
CYP3A4 P08684 13/20 0.88

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
SCHEMBL10202591 0.94 REN (1.00) RENKCNH2CYP3A4
SCHEMBL555966 0.82 REN (1.00) RENKCNH2CYP3A4
SCHEMBL556854 0.82 REN (1.00) RENKCNH2CYP3A4
SCHEMBL10202595 0.81 REN (1.00) RENKCNH2CYP3A4
SCHEMBL556908 0.78 REN (1.00) RENKCNH2CYP3A4
SCHEMBL556160 0.77 REN (0.64) RENKCNH2CYP3A4
SCHEMBL10202584 0.75 REN (1.00) RENKCNH2CYP3A4
SCHEMBL556389 0.74 REN (0.80) RENKCNH2CYP3A4
SCHEMBL557568 0.72 REN (1.00) RENKCNH2CYP3A4
SCHEMBL555942 0.72 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