SCHEMBL13625588

SCHEMBL13625588

O=C([C@@H]1CCCNC1)N(Cc1cn(Cc2cccc(F)c2)c2ccccc12)C1CC1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
REN P00797 17/20 0.55
KCNH2 Q12809 9/20 0.55
OPRM1 P35372 1/20 0.45
CDK9 P50750 1/20 0.44

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
SCHEMBL13625580 0.90 LMNA (0.52) RENKCNH2
SCHEMBL13625498 0.89 REN (0.68) RENKCNH2
SCHEMBL13131700 0.85 REN (0.67) RENKCNH2
SCHEMBL13625583 0.81 REN (0.56) RENKCNH2
SCHEMBL13625485 0.80 REN (0.49) REN
SCHEMBL12764127 0.79 REN (0.83) RENKCNH2
SCHEMBL12837206 0.79 REN (0.83) RENKCNH2
SCHEMBL1518525 0.79 REN (0.83) RENKCNH2
SCHEMBL1518523 0.79 REN (0.83) RENKCNH2
SCHEMBL1518522 0.79 REN (0.83) RENKCNH2

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