SCHEMBL13625581

SCHEMBL13625581

C=C/C(=C\C=C(/C)F)Cn1cc(CN(C(=O)[C@@H]2CCCNC2)C2CC2)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
REN P00797 17/20 0.47
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL13625502 0.80 REN (0.58) RENTP53SMN1; SMN2
SCHEMBL13625485 0.78 REN (0.49) RENSLC6A2SLC6A4TP53SMN1; SMN2
SCHEMBL13625588 0.76 REN (0.55) REN
SCHEMBL13625580 0.74 LMNA (0.52) RENSLC6A2SLC6A4SMN1; SMN2
SCHEMBL13625582 0.69 REN (0.62) REN
SCHEMBL13625583 0.69 REN (0.56) RENSLC6A2SLC6A4
SCHEMBL13131709 0.68 REN (0.72) REN
SCHEMBL13625576 0.68 SMN1; SMN2 (0.49) RENSLC6A2SLC6A4TP53SMN1; SMN2
SCHEMBL13131640 0.68 REN (0.74) REN
SCHEMBL13625579 0.67 REN (0.67) 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