SCHEMBL13625583

SCHEMBL13625583

O=C([C@@H]1CCCNC1)N(Cc1cn(Cc2ccccc2)c2cccc(Cl)c12)C1CC1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
REN P00797 19/20 0.56
KCNH2 Q12809 18/20 0.56
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 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
SCHEMBL13625578 0.84 REN (0.67) RENKCNH2
SCHEMBL13625580 0.84 LMNA (0.52) RENKCNH2SLC6A2SLC6A4
SCHEMBL13625498 0.84 REN (0.68) RENKCNH2
SCHEMBL13625588 0.81 REN (0.55) RENKCNH2
SCHEMBL1518355 0.78 REN (0.85) RENKCNH2
SCHEMBL12837195 0.78 REN (0.85) RENKCNH2
SCHEMBL12764156 0.78 REN (0.85) RENKCNH2
SCHEMBL1518353 0.78 REN (0.85) RENKCNH2
SCHEMBL1518349 0.78 REN (0.85) RENKCNH2
SCHEMBL13625579 0.75 REN (0.67) 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