SCHEMBL7464944

SCHEMBL7464944

Oc1ccc(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 0.52
PPARA Q07869 1/20 0.52
HTR7 P34969 2/20 0.50
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
MAPT P10636 2/20 0.44
TSHR P16473 2/20 0.44
CYP2C19 P33261 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP2D6 P10635 1/20 0.44
NFKB1 P19838 1/20 0.44
MAPK1 P28482 1/20 0.44
THPO P40225 1/20 0.44
MTOR P42345 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SIGMAR1 Q99720 4/20 0.44
PARP1 P09874 1/20 0.44

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
SCHEMBL4589363 0.98 PPARG (0.51) PPARGPPARAHTR7CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL7397016 0.97 PPARG (0.50) PPARGPPARAHTR7CYP1A2CYP3A4
SCHEMBL4587500 0.91 HTR7 (0.52) PPARGPPARAHTR7CYP1A2CYP3A4
SCHEMBL8742206 0.91 PPARG (0.51) PPARGPPARAHTR7CYP1A2CYP3A4
Paliroden SCHEMBL4587135 0.90 HTR7 (0.53) PPARGPPARAHTR7CYP1A2CYP3A4
Paliroden SCHEMBL29375649 0.90 HTR7 (0.53) PPARGPPARAHTR7CYP1A2CYP3A4
SCHEMBL9485644 0.90 PPARG (0.53) PPARGPPARAHTR7CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL7393191 0.90 MAOB (0.53) PPARGPPARAHTR7CYP1A2CYP3A4
Bromide SCHEMBL8742395 0.90 PPARG (0.50) PPARGPPARAHTR7CYP1A2CYP3A4
SCHEMBL9501239 0.90 SIGMAR1 (0.55) PPARGPPARAHTR7MAPTSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0837848-B1 4-ARYL-1-PHENYLALKYL-1,2,3,6-TETRAHYDROPYRIDINES HAVING NEUROTROPHIC AND NEUROPROTECTIVE ACTIVITY SANOFI SYNTHELABO (FR) 2002-09-11 EP disclosed
EP-1216996-A2 Method to synthesise biphenylyl derivatives SANOFI-SYNTHELABO (FR) 2002-06-26 EP disclosed
EP-0837848-A1 4-ARYL-1-PHENYLALKYL-1,2,3,6-TETRAHYDROPYRIDINES HAVING NEUROTROPHIC AND NEUROPROTECTIVE ACTIVITY SANOFI (FR) 1998-04-29 EP disclosed
WO-1997001536-A1 4-ARYL-1-PHENYLALKYL-1,2,3,6-TETRAHYDROPYRIDINES HAVING NEUROTROPHIC AND NEUROPROTECTIVE ACTIVITY SANOFI (FR) 1997-01-16 WO disclosed