SCHEMBL486065

SCHEMBL486065

CC(C)(C)N(C(=O)O)C1CC(c2ccc(C(F)(F)F)cc2)CN(C(=O)N2CCC(C#N)CC2)C1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F2R P25116 10/20 0.61
MCHR1 Q99705 7/20 0.39
LIPE Q05469 1/20 0.38
PROKR1 Q8TCW9 2/20 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
SCHEMBL17135696 0.85 F2R (0.60) F2RMCHR1LIPE
SCHEMBL486495 0.82 F2R (0.69) F2RLIPE
SCHEMBL17135693 0.81 F2R (0.47) F2RMCHR1LIPEPROKR1
SCHEMBL3802875 0.81 F2R (0.68) F2RMCHR1LIPEPROKR1
Hydrochloric Acid SCHEMBL661193 0.80 F2R (0.67) F2RMCHR1LIPEPROKR1
SCHEMBL662458 0.80 F2R (0.81) F2RMCHR1LIPEPROKR1
SCHEMBL486332 0.80 F2R (0.64) F2RMCHR1LIPEPROKR1
SCHEMBL640711 0.80 F2R (0.69) F2RLIPEPROKR1
SCHEMBL12720059 0.78 F2R (0.59) F2RMCHR1LIPEPROKR1
SCHEMBL486268 0.77 F2R (0.63) F2RMCHR1LIPEPROKR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411363-B1 SUBSTITUTED PIPERIDINES AS PAR-1 ANTAGONISTS BAYER IP GMBH (DE) 2015-10-07 EP disclosed
EP-2411363-A1 SUBSTITUTED PIPERIDINES AS PAR-1 ANTAGONISTS Bayer Pharma AG (DE) 2012-02-01 EP disclosed
WO-2010108608-A1 SUBSTITUTED PIPERIDINES AS PAR-1 ANTAGONISTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-09-30 WO disclosed