SCHEMBL8378355

SCHEMBL8378355

CCOC(=O)N=C(N)c1ccc(OCc2cccc(COc3ccc(C(C)(C)c4ccccc4)cc3)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.47
NR4A2 P43354 1/20 0.46
MRGPRX4 Q96LA9 3/20 0.46
PKM P14618 2/20 0.46
TP53 P04637 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PTPRC P08575 1/20 0.46
PTPN1 P18031 1/20 0.46
PARP10 Q53GL7 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
F2 P00734 2/20 0.44
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 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
SCHEMBL8378353 1.00 MAOB (0.47) MAOBNR4A2MRGPRX4PKMTP53
Amelubant SCHEMBL1891672 0.94 MAOB (0.45) MAOBNR4A2MRGPRX4PKMTP53
Amelubant SCHEMBL13696755 0.94 MAOB (0.45) MAOBNR4A2MRGPRX4PKMTP53
SCHEMBL15063232 0.85 MAOB (0.39) MAOBNR4A2MRGPRX4PKMTP53
SCHEMBL8378347 0.83 F2 (0.51) MAOBNR4A2MRGPRX4PKMSMN1; SMN2
SCHEMBL8378348 0.83 F2 (0.51) MAOBNR4A2MRGPRX4PKMSMN1; SMN2
SCHEMBL8631529 0.82 NPC1 (0.46) MAOBNR4A2MRGPRX4PKMTP53
SCHEMBL8518418 0.80 GPR132 (0.49) MAOBNR4A2MRGPRX4SMN1; SMN2PTPRC
SCHEMBL8518423 0.80 GPR132 (0.49) MAOBNR4A2MRGPRX4SMN1; SMN2PTPRC
SCHEMBL8630197 0.76 MRGPRX4 (0.47) NR4A2MRGPRX4PKMTP53NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0770059-B1 SUBSTITUTED BENZAMIDINES, THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 1999-04-07 EP claimed
EP-0770059-A1 SUBSTITUTED BENZAMIDINES, THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM KG (DE) 1997-05-02 EP claimed
WO-1996002497-A1 SUBSTITUTED BENZAMIDINES, THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM KG (DE) 1996-02-01 WO claimed
EP-0770059-A1 SUBSTITUTED BENZAMIDINES, THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM KG (DE) 1997-05-02 EP disclosed
WO-1996002497-A1 SUBSTITUTED BENZAMIDINES, THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM KG (DE) 1996-02-01 WO disclosed