SCHEMBL13625485

SCHEMBL13625485

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

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
REN P00797 17/20 0.49
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
TP53 P04637 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 1/20 0.40

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
SCHEMBL13625588 0.80 REN (0.55) REN
SCHEMBL13625502 0.80 REN (0.58) RENTP53SMN1; SMN2
SCHEMBL13625580 0.79 LMNA (0.52) RENSLC6A2SLC6A4SMN1; SMN2
SCHEMBL13625581 0.78 REN (0.47) RENSLC6A2SLC6A4TP53SMN1; SMN2
SCHEMBL1518252 0.78 REN (0.75) REN
SCHEMBL12764100 0.78 REN (0.75) REN
SCHEMBL1518255 0.78 REN (0.75) REN
SCHEMBL12837146 0.78 REN (0.75) REN
SCHEMBL1518250 0.78 REN (0.75) REN
SCHEMBL13131718 0.74 REN (0.73) REN

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