SCHEMBL486325

SCHEMBL486325

CCc1cc(C2CC(NC(=O)c3ccccc3)CN(C(=O)N3CCOCC3)C2)ccc1C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2R P25116 14/20 0.68
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL485923 0.85 F2R (0.73) F2RCYP2C19SMN1; SMN2TSHR
SCHEMBL486326 0.82 F2R (0.70) F2RCYP2C19SMN1; SMN2
SCHEMBL661950 0.81 F2R (1.00) F2RCYP2C19SMN1; SMN2
SCHEMBL485965 0.81 F2R (1.00) F2RCYP2C19
SCHEMBL485814 0.79 F2R (0.83) F2RCYP2C19
SCHEMBL486312 0.79 F2R (0.75) F2R
SCHEMBL662954 0.78 F2R (0.80) F2RCYP2C19
SCHEMBL16579598 0.76 F2R (0.81) F2RSMN1; SMN2
SCHEMBL486250 0.76 F2R (0.65) F2RCYP2C19SMN1; SMN2TSHR
SCHEMBL486000 0.75 HPGD (0.42) F2RHPGDNPSR1

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