SCHEMBL10939339

SCHEMBL10939339

O=C(CCc1ccc2ccccc2c1)N1CC=C(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ PPARG P37231 1/20 0.44
▸ PPARA Q07869 1/20 0.44
▸ PARP1 P09874 2/20 0.42
▸ CCR2 P41597 1/20 0.42
▸ PARP2 Q9UGN5 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ OPRL1 P41146 1/20 0.42
▸ HTR7 P34969 1/20 0.40
▸ SOS1 Q07889 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ MC4R P32245 1/20 0.40
▸ HTR1A P08908 1/20 0.39

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
SCHEMBL2845133 0.91 MEN1 (0.50) MEN1KMT2APPARGPPARACCR2
SCHEMBL10937656 0.85 MEN1 (0.49) MEN1KMT2APPARGPPARAPARP1
SCHEMBL8742178 0.83 MEN1 (0.48) MEN1KMT2APPARGPPARACCR2
Xaliproden SCHEMBL137094 0.82 SIGMAR1 (0.51) MEN1KMT2APPARGPPARAPARP1
Xaliproden SCHEMBL29377982 0.82 SIGMAR1 (0.51) MEN1KMT2APPARGPPARAPARP1
SCHEMBL10937671 0.82 MEN1 (0.49) MEN1KMT2APPARGPPARAPARP1
Hydrochloric Acid SCHEMBL10734951 0.81 MEN1 (0.53) MEN1KMT2APPARGPPARACCR2
SCHEMBL8742167 0.81 PPARG (0.47) MEN1KMT2APPARGPPARACCR2
Xaliproden SCHEMBL116721 0.81 SIGMAR1 (0.50) MEN1KMT2APPARGPPARAPARP1
Xaliproden SCHEMBL29393004 0.81 SIGMAR1 (0.50) MEN1KMT2APPARGPPARAPARP1

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-0101381-B1 ANOREXIC TRIFLUOROMETHYL PHENYL TETRAHYDROPYRIDINES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI S.A. (FR) 1985-12-04 — — EP disclosed
US-4521428-A Anorexigenic trifluoromethylphenyltetrahydropyridines and pharmaceutical compositions containing them SANOFI (FR) 1985-06-04 — — US disclosed
EP-0101381-A1 Anorexic trifluoromethyl phenyl tetrahydropyridines, process for their preparation and pharmaceutical compositions containing them SANOFI S.A. (FR) 1984-02-22 — — EP disclosed
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