SCHEMBL485931

SCHEMBL485931

O=C(O)OC1CCN(C(=O)N2CC(NC(=O)c3ccccc3)CC(c3ccc(C(F)(F)F)cc3)C2)CC1

nearest known ligand 0.80

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2R P25116 15/20 0.80
SCN1A P35498 1/20 0.44
SCN5A Q14524 1/20 0.44
SCN9A Q15858 1/20 0.44
EPHX2 P34913 1/20 0.44
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
CCR2 P41597 2/20 0.41

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
SCHEMBL10242071 0.91 F2R (0.80) F2RSCN1ASCN5ASCN9AEPHX2
SCHEMBL661933 0.89 F2R (1.00) F2RSCN1ASCN5ASCN9ADRD2
SCHEMBL485929 0.88 F2R (0.84) F2RSCN1ASCN5ASCN9ADRD2
SCHEMBL486123 0.86 F2R (0.78) F2RSCN1ASCN5ASCN9ADRD2
SCHEMBL485872 0.86 F2R (0.81) F2RSCN1ASCN5ASCN9ADRD2
SCHEMBL661795 0.86 F2R (0.81) F2RSCN1ASCN5ASCN9ADRD2
SCHEMBL10242089 0.86 F2R (0.72) F2RSCN1ASCN5ASCN9ADRD2
SCHEMBL10242108 0.86 F2R (0.91) F2RSCN1ASCN5ASCN9ADRD2
SCHEMBL485828 0.86 F2R (0.77) F2RDRD2DRD4
SCHEMBL485965 0.85 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