SCHEMBL9626451

SCHEMBL9626451

CNC(C)CCc1ccc(OCc2cccc(F)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.61
MAOA P21397 1/20 0.55
SCN9A Q15858 1/20 0.55
BCHE P06276 1/20 0.54
ALDH1A1 P00352 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
GRM5 P41594 1/20 0.51
NR4A2 P43354 1/20 0.50

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
SCHEMBL9626353 0.85 BCHE (0.57) MAOBBCHEL3MBTL1NR4A2
SCHEMBL9627122 0.85 MAOB (0.62) MAOBBCHEALDH1A1CYP1A2CYP2D6
SCHEMBL9626522 0.85 MAOB (0.60) MAOBMAOABCHE
SCHEMBL9627930 0.84 MAOB (0.68) MAOBMAOASCN9ANR4A2
SCHEMBL25309034 0.84 BCHE (0.74) BCHE
SCHEMBL9628236 0.82 FFAR1 (0.58) MAOBMAOABCHEGRM5
Hydrochloric Acid SCHEMBL9735162 0.81 MAOB (0.62) MAOBMAOASCN9ABCHEGRM5
SCHEMBL9628277 0.80 MAOB (0.58) MAOBMAOABCHEALDH1A1
SCHEMBL9626408 0.78 MAOB (0.57) MAOBMAOABCHE
SCHEMBL9627070 0.77 BCHE (0.57) MAOBMAOABCHENR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0477184-A1 INHIBITORS OF MONO-AMINE OXIDASE, PROCESS FOR THEIR PREPARATION, AND THEIR USE IN THERAPEUTICS. FOURNIER INDUSTRIE ET SANTE (FR) 1992-04-01 EP disclosed
WO-1990011997-A2 INHIBITORS OF MONO-AMINE OXIDASE, PROCESS FOR THEIR PREPARATION, AND THEIR USE IN THERAPEUTICS. FOURNIER INNOVATION ET SYNERGIE (FR) 1990-10-18 WO disclosed