SCHEMBL7236458

SCHEMBL7236458

Cn1c(C(F)(F)F)cc(=O)n(-c2ccc(OCc3ccc(Cl)c(N)c3)cc2F)c1=O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.38
FFAR1 O14842 1/20 0.36
PLA2G7 Q13093 7/20 0.35
HRH3 Q9Y5N1 1/20 0.35
MAOA P21397 2/20 0.34
S1PR1 P21453 1/20 0.34
S1PR5 Q9H228 1/20 0.34
SRD5A1 P18405 1/20 0.34
KCNH2 Q12809 1/20 0.33
MCHR1 Q99705 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32

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 0.88 MAOB (0.47) MAOBMAOASRD5A1KCNH2MCHR1
SCHEMBL7239116 0.86 PTGES (0.36) MAOBFFAR1PLA2G7HRH3MAOA
SCHEMBL7677446 0.84 HDAC1 (0.40) MAOBPLA2G7MAOAMCHR1
SCHEMBL7242694 0.84 FFAR1 (0.35) MAOBFFAR1PLA2G7HRH3S1PR1
SCHEMBL7610528 0.83 MAOB (0.43) MAOBMAOASRD5A1KCNH2MCHR1
SCHEMBL9116751 0.82 AR (0.44) MAOBMAOAS1PR5SRD5A1KCNH2
SCHEMBL7611954 0.80 CHRM5 (0.39) MAOBSRD5A1MCHR1
SCHEMBL10579174 0.78 PPOX (0.40) MAOBFFAR1PLA2G7S1PR1S1PR5
SCHEMBL2149663 0.76 BCAT2 (0.30)
SCHEMBL9115133 0.76 SMN1; SMN2 (0.38)

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
US-6548449-B1 Herbicides BAYER AKTIENGESELLSCHAFT (DE) 2003-04-15 US disclosed