SCHEMBL8029596

SCHEMBL8029596

CC(Oc1ccc(C(F)(F)F)cc1)C(=O)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.58
FAAH O00519 2/20 0.56
ALDH1A1 P00352 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
HIF1A Q16665 1/20 0.53
EPAS1 Q99814 1/20 0.53
HTT P42858 1/20 0.52
PRKAB2 O43741 1/20 0.52
PRKAG1 P54619 1/20 0.52
PRKAA2 P54646 1/20 0.52
PRKAA1 Q13131 1/20 0.52
PRKAG3 Q9UGI9 1/20 0.52
PRKAG2 Q9UGJ0 1/20 0.52
PRKAB1 Q9Y478 1/20 0.52
PPARA Q07869 2/20 0.51
PPARD Q03181 1/20 0.51
MDH1 P40925 1/20 0.51

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
SCHEMBL8033304 0.89 ALDH1A1 (0.63) FAAHALDH1A1SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL8889528 0.88 KMT2A (0.63) FAAHALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8020109 0.87 SMN1; SMN2 (0.58) SIGMAR1FAAHALDH1A1SMN1; SMN2MEN1
SCHEMBL8029605 0.86 MEN1 (0.58) FAAHALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8029862 0.86 SMN1; SMN2 (0.58) FAAHALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8029611 0.85 PKM (0.67) L3MBTL1FAAHALDH1A1SMN1; SMN2MEN1
SCHEMBL8020023 0.84 POLB (0.61) SIGMAR1FAAHALDH1A1SMN1; SMN2MEN1
SCHEMBL8029900 0.83 LTA4H (0.57) SIGMAR1L3MBTL1FAAHMEN1KMT2A
SCHEMBL8029856 0.83 FAAH (0.62) FAAHALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8033251 0.82 CYP2D6 (0.57) FAAHALDH1A1SMN1; SMN2MEN1KMT2A

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-0702010-B1 Benzopyranderivatives, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2000-03-15 EP disclosed
US-5668138-A AFFINITY FOR SIGMA RECEPTORS, CENTRAL NERVOUS SYSTEM DISORDERS ADIR ET COMPAGNIE (FR) 1997-09-16 US disclosed
EP-0702010-A1 Benzopyranderivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-03-20 EP disclosed