SCHEMBL9501239

SCHEMBL9501239

FC(F)(F)c1cccc(C2=CCN(CCc3ccccc3)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.55
HTR7 P34969 2/20 0.55
PPARG P37231 1/20 0.52
PPARA Q07869 1/20 0.52
KCNA3 P22001 1/20 0.51
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
DRD3 P35462 1/20 0.50
PARP1 P09874 2/20 0.48
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
HTR1A P08908 1/20 0.45
HTR2C P28335 1/20 0.45

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
Hydrochloric Acid SCHEMBL9485989 0.99 SIGMAR1 (0.54) SIGMAR1HTR7PPARGPPARAKCNA3
SCHEMBL4589037 0.96 HTR7 (0.52) SIGMAR1HTR7PPARGPPARAKCNA3
Paliroden SCHEMBL29375649 0.95 HTR7 (0.53) SIGMAR1HTR7PPARGPPARAKCNA3
Paliroden SCHEMBL4587135 0.95 HTR7 (0.53) SIGMAR1HTR7PPARGPPARAKCNA3
SCHEMBL4588554 0.94 HTR7 (0.52) SIGMAR1HTR7PPARGPPARAKCNA3
SCHEMBL4587500 0.92 HTR7 (0.52) SIGMAR1HTR7PPARGPPARAKCNA3
Hydrochloric Acid SCHEMBL7393191 0.91 MAOB (0.53) SIGMAR1HTR7PPARGPPARAKCNA3
SCHEMBL9485644 0.91 PPARG (0.53) SIGMAR1HTR7PPARGPPARAKCNA3
SCHEMBL4588837 0.90 PPARG (0.56) SIGMAR1HTR7PPARGPPARAKCNA3
Hydrochloric Acid SCHEMBL9486139 0.90 PPARG (0.52) SIGMAR1HTR7PPARGPPARAKCNA3

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-0412901-B1 USE OF TRIFLUOROMETHYL-PHENYLTETRAHYDROPYRIDINES FOR THE MANUFACTURE OF MEDICAMENTS FOR THE TREATMENT OF INTESTINAL MOTILITY ELF SANOFI (FR) 1993-05-05 EP disclosed
EP-0412901-A2 Use of trifluoromethyl-phenyltetrahydropyridines for the manufacture of medicaments for the treatment of intestinal motility ELF SANOFI (FR) 1991-02-13 EP disclosed