SCHEMBL486096

SCHEMBL486096

CCc1ccc(C2CC(NC(=O)Oc3ccc(-c4cccc(C(F)(F)F)c4)cn3)CN(C(=O)C3CCCC3)C2)cc1

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2R P25116 12/20 0.78
GRIN1 Q05586 2/20 0.39
GRIN2B Q13224 2/20 0.39
CCR2 P41597 1/20 0.38
KCNH2 Q12809 1/20 0.38
PIK3CD O00329 2/20 0.38
KDM1A O60341 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL662922 0.88 F2R (1.00) F2RGRIN1GRIN2BCCR2
SCHEMBL485844 0.82 F2R (0.61) F2RPIK3CD
SCHEMBL486466 0.74 F2R (0.69) F2R
SCHEMBL486104 0.73 F2R (0.61) F2R
SCHEMBL485838 0.73 F2R (0.61) F2R
SCHEMBL485888 0.72 F2R (0.65) F2R
SCHEMBL485980 0.72 F2R (0.73) F2R
SCHEMBL486133 0.71 F2R (1.00) F2R
SCHEMBL662897 0.71 F2R (0.81) F2R
SCHEMBL662456 0.70 F2R (1.00) F2R

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