SCHEMBL9628236

SCHEMBL9628236

CNC(C)CCc1ccc(OCc2cccc(C#N)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.58
FFAR4 Q5NUL3 1/20 0.58
BCHE P06276 1/20 0.52
MAOB P27338 5/20 0.52
ADAMTS4 O75173 1/20 0.48
MMP13 P45452 1/20 0.48
MAOA P21397 2/20 0.47
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
NOS3 P29474 3/20 0.44
NOS1 P29475 3/20 0.44
MRGPRX4 Q96LA9 1/20 0.43
GRM5 P41594 2/20 0.43
GPR34 Q9UPC5 1/20 0.43

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
SCHEMBL9626522 0.82 MAOB (0.60) BCHEMAOBMAOA
SCHEMBL9626451 0.82 MAOB (0.61) BCHEMAOBMAOAGRM5
SCHEMBL9627122 0.82 MAOB (0.62) BCHEMAOB
SCHEMBL25309034 0.82 BCHE (0.74) BCHE
SCHEMBL9628277 0.78 MAOB (0.58) FFAR1BCHEMAOBADAMTS4MMP13
SCHEMBL21340514 0.78 FFAR1 (0.56) FFAR1FFAR4MAOBADAMTS4MMP13
SCHEMBL14163905 0.77 FFAR1 (0.63) FFAR1FFAR4MAOBADAMTS4MMP13
SCHEMBL13232461 0.76 GRM5 (0.62) FFAR1FFAR4MAOBMAOACYP4F2
SCHEMBL8549374 0.76 FFAR1 (0.60) FFAR1FFAR4MAOBMAOACYP4F2
SCHEMBL9626408 0.76 MAOB (0.57) BCHEMAOBMAOA

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