SCHEMBL486104

SCHEMBL486104

CCc1ccc(C2CC(NC(=O)Oc3sc(C)nc3C)CN(C(=O)C3CCCC3)C2)cc1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2R P25116 14/20 0.61
FAAH O00519 3/20 0.36
MEN1 O00255 1/20 0.34
NR2F2 P24468 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.33

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
SCHEMBL662110 0.85 F2R (0.64) F2RMAPT
SCHEMBL485888 0.82 F2R (0.65) F2RMEN1RAB9AKMT2AMAPT
SCHEMBL486466 0.80 F2R (0.69) F2RMEN1RAB9AKMT2AMAPT
SCHEMBL485844 0.79 F2R (0.61) F2RRAB9AMAPT
SCHEMBL485838 0.78 F2R (0.61) F2RFAAH
SCHEMBL662897 0.78 F2R (0.81) F2RMEN1RAB9AKMT2AMAPT
SCHEMBL485980 0.76 F2R (0.73) F2RMEN1RAB9AKMT2AMAPT
SCHEMBL662549 0.76 F2R (0.74) F2RRAB9AKMT2AMAPT
SCHEMBL486133 0.76 F2R (1.00) F2RRAB9AMAPT
SCHEMBL662802 0.75 F2R (0.67) F2RMEN1RAB9AKMT2A

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