SCHEMBL13625580

SCHEMBL13625580

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

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.52
ALDH1A1 P00352 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
REN P00797 15/20 0.49
KCNH2 Q12809 6/20 0.49
HTT P42858 1/20 0.49
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
SCHEMBL13625588 0.90 REN (0.55) RENKCNH2
SCHEMBL13625583 0.84 REN (0.56) RENKCNH2SLC6A2SLC6A4
SCHEMBL13625498 0.79 REN (0.68) RENKCNH2
SCHEMBL12837255 0.79 REN (0.74) RENKCNH2
SCHEMBL1518321 0.79 REN (0.74) RENKCNH2
SCHEMBL1518324 0.79 REN (0.74) RENKCNH2
SCHEMBL1518327 0.79 REN (0.74) RENKCNH2
SCHEMBL12764130 0.79 REN (0.74) RENKCNH2
SCHEMBL13625485 0.79 REN (0.49) SMN1; SMN2RENSLC6A2SLC6A4
SCHEMBL13625502 0.78 REN (0.58) SMN1; SMN2REN

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