SCHEMBL3900543

SCHEMBL3900543

N#Cc1cccc(OCc2cccc(N)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.59
AS3MT Q9HBK9 1/20 0.54
APP P05067 1/20 0.51
FFAR1 O14842 1/20 0.51
FFAR4 Q5NUL3 1/20 0.51
MAOA P21397 2/20 0.49
ACHE P22303 1/20 0.48
MRGPRX4 Q96LA9 1/20 0.48
GRM5 P41594 1/20 0.47
F2 P00734 2/20 0.47
GPR34 Q9UPC5 1/20 0.46
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45

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
SCHEMBL811614 0.94 MAOB (0.64) MAOBAS3MTAPPFFAR1FFAR4
SCHEMBL27510264 0.86 MAOB (0.53) MAOBAPPFFAR1FFAR4MAOA
SCHEMBL22874523 0.84 MAOB (0.62) MAOBFFAR1FFAR4MAOAMRGPRX4
SCHEMBL538272 0.84 MAOB (0.69) MAOBFFAR1FFAR4MAOAGPR34
SCHEMBL30344886 0.84 MAOB (0.69) MAOBFFAR1FFAR4MAOAGPR34
SCHEMBL7452913 0.83 GABRG2 (0.56) MAOBFFAR1FFAR4MAOAMRGPRX4
SCHEMBL8509859 0.83 FFAR1 (0.56) MAOBFFAR1FFAR4MAOAMRGPRX4
SCHEMBL810451 0.83 MAOB (0.66) MAOBAS3MTAPPMAOAF2
SCHEMBL1248693 0.82 MAOB (0.66) MAOBFFAR1FFAR4MAOAMRGPRX4
SCHEMBL31114416 0.82 MAOB (0.79) MAOBAPPMAOACYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0976722-B1 BENZAMIDINE DERIVATIVES AJINOMOTO KK (JP) 2009-03-11 EP disclosed
EP-0976722-B1 BENZAMIDINE DERIVATIVES AJINOMOTO KK (JP) 2009-03-11 EP disclosed
US-7396844-B1 Benzamidine derivatives AJINOMOTO CO., INC. (JP) 2008-07-08 US disclosed
US-7396844-B1 Benzamidine derivatives AJINOMOTO CO., INC. (JP) 2008-07-08 US disclosed
US-7396844-B1 Benzamidine derivatives AJINOMOTO CO., INC. (JP) 2008-07-08 US disclosed
EP-0976722-A1 BENZAMIDINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2000-02-02 EP disclosed