SCHEMBL8742207

SCHEMBL8742207

COc1cc2ccc(CC(=O)N3CC=C(c4cccc(C(F)(F)F)c4)CC3)cc2cc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ PPARG P37231 1/20 0.45
▸ PPARA Q07869 1/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HTT P42858 3/20 0.43
▸ TSHR P16473 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ QDPR P09417 1/20 0.42
▸ CCNC P24863 1/20 0.42
▸ CDK8 P49336 1/20 0.42
▸ CCR2 P41597 1/20 0.42

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
SCHEMBL8742167 0.92 PPARG (0.47) KMT2AMEN1PPARGPPARANPSR1
SCHEMBL8742178 0.90 MEN1 (0.48) KMT2AMEN1PPARGPPARANPSR1
SCHEMBL2845133 0.89 MEN1 (0.50) KMT2AMEN1PPARGPPARANPSR1
SCHEMBL4588155 0.83 PPARG (0.51) KMT2AMEN1PPARGPPARAMAPT
Hydrochloric Acid SCHEMBL8742634 0.82 PPARG (0.50) KMT2AMEN1PPARGPPARAMAPT
SCHEMBL10939339 0.81 MEN1 (0.50) KMT2AMEN1PPARGPPARAMAPT
SCHEMBL10935421 0.77 MEN1 (0.49) KMT2AMEN1NPSR1CYP1A2CYP3A4
SCHEMBL187309 0.76 MEN1 (0.50) KMT2AMEN1PPARGPPARANPSR1
Hydrochloric Acid SCHEMBL10734951 0.76 MEN1 (0.53) KMT2AMEN1PPARGPPARATDP1
SCHEMBL2845134 0.76 KDM4E (0.47) KMT2AMEN1CYP2C9HTTTSHR

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-5618822-A N-substituted trifluoromethylphenyltetrahydropyridines, process for the preparation thereof, intermediates in said process and pharmaceutical compositions containing them SANOFI (FR) 1997-04-08 — — US disclosed
US-5599941-A N-substituted trifluoromethylphenyltetrahydropyridines process for the preparation thereof intermediates in said process and pharmaceutical compositions containing them SANOFI (FR) 1997-02-04 — — US disclosed
US-5596101-A N-substituted trifluoromethylphenyltetrahydropyridines, process for the preparation thereof, intermediates in said process and pharmaceutical compositions containing them SANOFI (FR) 1997-01-21 — — US disclosed
US-5559238-A N-substituted trifluoromethylphenyltetrahydropyridenes process for the preparation thereof, intermediates in said process and pharmaceutical compositions containing them SANOFI (FR) 1996-09-24 — — US disclosed
US-5462945-A N-substituted trifluoromethylphenyltetrahydropyridines, process for the preparation thereof, intermediates in said process and pharmaceutical compositions containing them SANOFI (FR) 1995-10-31 — — US disclosed
EP-0458697-B1 N-substituted trifluoromethylphenyl tetrahydropyridines, process for their preparation, intermediates and pharmaceutical preparations containing them SANOFI ELF (FR) 1994-07-27 — — EP disclosed
US-5281606-A N-substituted trifluoromethylphenyltetrahydropyridines, process for the preparation thereof, intermediates in said process and pharmaceutical compositions containing them SANOFI (FR) 1994-01-25 — — US disclosed
EP-0458697-A1 N-substituted trifluoromethylphenyl tetrahydropyridines, process for their preparation, intermediates and pharmaceutical preparations containing them ELF SANOFI (FR) 1991-11-27 — — EP disclosed
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