SCHEMBL13625534

SCHEMBL13625534

COCCCc1cc(CN(C(=O)C2CNCC[C@]2(OC)c2ccn(C)c(=O)c2)C2CC2)cc(OCCOC)c1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.67
KCNH2 Q12809 11/20 0.66
CYP3A4 P08684 9/20 0.66

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
SCHEMBL1518129 1.00 REN (0.67) RENKCNH2CYP3A4
SCHEMBL1518127 1.00 REN (0.67) RENKCNH2CYP3A4
SCHEMBL1518125 1.00 REN (0.67) RENKCNH2CYP3A4
SCHEMBL1518343 0.91 REN (0.77) RENKCNH2CYP3A4
SCHEMBL1518344 0.91 REN (0.77) RENKCNH2CYP3A4
SCHEMBL13625853 0.91 REN (0.77) RENKCNH2CYP3A4
SCHEMBL1518341 0.91 REN (0.77) RENKCNH2CYP3A4
SCHEMBL3108191 0.91 REN (0.62) RENKCNH2CYP3A4
SCHEMBL3096009 0.91 REN (0.62) RENKCNH2CYP3A4
SCHEMBL12764235 0.91 REN (0.68) 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-2009135299-A1 3, 4 - SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2009-11-12 WO disclosed