SCHEMBL485918

SCHEMBL485918

O=C(NC1CC(c2ccc(C(F)(F)F)cc2)CN(CCO)C1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2R P25116 10/20 0.62
DRD4 P21917 3/20 0.51
DRD2 P14416 2/20 0.51
SLC6A5 Q9Y345 3/20 0.48
SCN1A P35498 1/20 0.46
SCN5A Q14524 1/20 0.46
SCN9A Q15858 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CHRM2 P08172 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
HTR2A P28223 1/20 0.42

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
SCHEMBL664273 0.85 F2R (0.66) F2RDRD4DRD2CHRM2CHRM5
SCHEMBL662583 0.80 F2R (0.85) F2RDRD4DRD2SCN1ASCN5A
SCHEMBL10242081 0.79 F2R (0.71) F2RDRD4DRD2MEN1KMT2A
SCHEMBL662957 0.79 F2R (0.76) F2RDRD4DRD2SCN1ASCN5A
SCHEMBL486079 0.78 F2R (0.69) F2RMEN1KMT2ACHRM1
SCHEMBL661832 0.78 F2R (0.64) F2R
SCHEMBL486041 0.78 F2R (0.64) F2RDRD4DRD2SCN5ASCN9A
SCHEMBL10239963 0.76 F2R (1.00) F2RDRD4DRD2SCN1ASCN5A
SCHEMBL661933 0.76 F2R (1.00) F2RDRD4DRD2SCN1ASCN5A
SCHEMBL486313 0.76 F2R (1.00) F2RDRD4DRD2SCN1ASCN5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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