SCHEMBL10937671

SCHEMBL10937671

O=C(CCc1ccccn1)N1CC=C(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ GAA P10253 1/20 0.44
▸ JAK2 O60674 2/20 0.42
▸ JAK1 P23458 2/20 0.42
▸ CCR2 P41597 1/20 0.42
▸ PARP1 P09874 1/20 0.42
▸ PARP2 Q9UGN5 1/20 0.42
▸ SLC6A7 Q99884 1/20 0.41
▸ CACNA1B Q00975 1/20 0.41
▸ PHGDH O43175 1/20 0.41
▸ KCNK3 O14649 1/20 0.41
▸ PDCD1 Q15116 1/20 0.40
▸ CD274 Q9NZQ7 1/20 0.40
▸ PPARG P37231 1/20 0.40
▸ PPARA Q07869 1/20 0.40
▸ GRIN1 Q05586 1/20 0.40
▸ GRIN2B Q13224 1/20 0.40

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
SCHEMBL10933064 0.90 ALDH1A1 (0.48) MEN1KMT2AALDH1A1SMN1; SMN2CCR2
SCHEMBL10939339 0.82 MEN1 (0.50) MEN1KMT2AALDH1A1CCR2PARP1
SCHEMBL9501543 0.81 HTR7 (0.51) MEN1KMT2APARP1CACNA1BPPARG
SCHEMBL10937656 0.81 MEN1 (0.49) MEN1KMT2AALDH1A1SMN1; SMN2GAA
Hydrochloric Acid SCHEMBL10734951 0.81 MEN1 (0.53) MEN1KMT2AJAK1CCR2PPARG
Hydrochloric Acid SCHEMBL10939473 0.80 HTR7 (0.50) MEN1KMT2APARP1CACNA1BPPARG
Hydrochloric Acid SCHEMBL9485518 0.80 HTR7 (0.50) MEN1KMT2APARP1CACNA1BPPARG
SCHEMBL10975429 0.79 HTR7 (0.54) PARP1CACNA1BPPARGPPARAHTR7
SCHEMBL187309 0.79 MEN1 (0.50) MEN1KMT2AALDH1A1SMN1; SMN2CCR2
Hydrochloric Acid SCHEMBL10938007 0.78 HTR7 (0.53) PARP1CACNA1BPPARGPPARAHTR7

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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