SCHEMBL485844

SCHEMBL485844

CCc1ccc(C2CC(NC(=O)Oc3ccc(Br)cn3)CN(C(=O)C3CCCC3)C2)cc1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2R P25116 15/20 0.61
KDM4E B2RXH2 1/20 0.41
PIK3CD O00329 2/20 0.35
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
STAT1 P42224 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL662397 0.85 F2R (0.67) F2R
SCHEMBL486096 0.82 F2R (0.78) F2RPIK3CD
SCHEMBL486466 0.81 F2R (0.69) F2RNPC1MAPTSTAT1RAB9A
SCHEMBL485888 0.80 F2R (0.65) F2RNPC1MAPTSTAT1RAB9A
SCHEMBL485838 0.79 F2R (0.61) F2R
SCHEMBL486104 0.79 F2R (0.61) F2RMAPTRAB9A
SCHEMBL662897 0.78 F2R (0.81) F2RNPC1MAPTSTAT1RAB9A
SCHEMBL485980 0.77 F2R (0.73) F2RNPC1MAPTSTAT1RAB9A
SCHEMBL662549 0.77 F2R (0.74) F2RNPC1MAPTSTAT1RAB9A
SCHEMBL486133 0.77 F2R (1.00) F2RNPC1MAPTSTAT1RAB9A

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