SCHEMBL8523914

SCHEMBL8523914

Cn1c(C#N)cc(=O)n(-c2ccc(OCc3ccc(Cl)cc3)cc2F)c1=O

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOB P27338 13/20 0.46
MAOA P21397 10/20 0.46
SRD5A1 P18405 1/20 0.41
MCHR1 Q99705 4/20 0.39
KCNH2 Q12809 1/20 0.39
ACHE P22303 1/20 0.38

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
SCHEMBL9114664 0.83 MAOB (0.47) MAOBMAOASRD5A1MCHR1KCNH2
SCHEMBL8525104 0.82 MAOB (0.51) MAOBMAOASRD5A1MCHR1KCNH2
SCHEMBL8524960 0.81 MAOB (0.50) MAOBMAOASRD5A1MCHR1KCNH2
SCHEMBL8525105 0.80 MAOB (0.49) MAOBMAOASRD5A1MCHR1KCNH2
SCHEMBL8524954 0.80 MAOB (0.49) MAOBMAOASRD5A1MCHR1KCNH2
SCHEMBL8524033 0.80 MAOB (0.47) MAOBMAOASRD5A1MCHR1KCNH2
SCHEMBL9116228 0.73 BCAT1 (0.51) MAOBMAOA
SCHEMBL7902160 0.72 MAOB (0.48) MAOBMAOASRD5A1MCHR1KCNH2
SCHEMBL7610528 0.72 MAOB (0.43) MAOBMAOASRD5A1MCHR1KCNH2
SCHEMBL7677446 0.72 HDAC1 (0.40) MAOBMAOAMCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999001440-A1 SUBSTITUTED ARYLURACIL HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1999-01-14 WO disclosed