SCHEMBL9485644

SCHEMBL9485644

Cc1ccc(CCN2CC=C(c3cccc(C(F)(F)F)c3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.53
PPARA Q07869 1/20 0.53
HTR7 P34969 2/20 0.51
SIGMAR1 Q99720 5/20 0.48
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
MAPT P10636 2/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
TSHR P16473 1/20 0.45
NFKB1 P19838 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP2C19 P33261 1/20 0.45
THPO P40225 1/20 0.45
MTOR P42345 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 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 SCHEMBL9486139 0.99 PPARG (0.52) PPARGPPARAHTR7SIGMAR1DRD2
SCHEMBL4587500 0.92 HTR7 (0.52) PPARGPPARAHTR7SIGMAR1DRD2
SCHEMBL4587566 0.91 PPARG (0.51) PPARGPPARAHTR7SIGMAR1DRD2
Paliroden SCHEMBL29375649 0.91 HTR7 (0.53) PPARGPPARAHTR7SIGMAR1DRD2
Paliroden SCHEMBL4587135 0.91 HTR7 (0.53) PPARGPPARAHTR7SIGMAR1DRD2
Hydrochloric Acid SCHEMBL7393191 0.91 MAOB (0.53) PPARGPPARAHTR7SIGMAR1DRD2
SCHEMBL9501239 0.91 SIGMAR1 (0.55) PPARGPPARAHTR7SIGMAR1DRD2
SCHEMBL4587606 0.90 PPARG (0.53) PPARGPPARAHTR7SIGMAR1DRD2
SCHEMBL7820335 0.90 PPARG (0.51) PPARGPPARAHTR7SIGMAR1DRD2
Hydrochloric Acid SCHEMBL7394628 0.90 PPARG (0.51) PPARGPPARAHTR7SIGMAR1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5266573-A Constipation ELF SANOFI (FR) 1993-11-30 US claimed
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 claimed
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 claimed
US-5266573-A Constipation ELF SANOFI (FR) 1993-11-30 US disclosed
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
US-5109005-A TRIFLUOROMETHYLPHENYLTETRAHYDROPYRIDINES FOR THE TREATMENT AND/OR PROPHYLAXIS OF INTESTINAL MOTILITY DISORDERS SANOFI (FR) 1992-04-28 US 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
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