SCHEMBL9766729

SCHEMBL9766729

CCCC[C@H]1CC[C@H](CCc2ccc(-c3ccc(F)nc3F)cc2)CC1.CCC[C@H]1CC[C@H](CCc2ccc(-c3ccc(F)nc3F)cc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.36
MAOA P21397 1/20 0.36
GPR84 Q9NQS5 1/20 0.34
CNR1 P21554 1/20 0.33
RARB P10826 1/20 0.33
HRH3 Q9Y5N1 2/20 0.33
GAA P10253 3/20 0.32
MEN1 O00255 2/20 0.32
MAPK1 P28482 2/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 3/20 0.31
RAB9A P51151 3/20 0.31
MAPT P10636 3/20 0.31
BCHE P06276 1/20 0.31
MPL P40238 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL9250344 0.98 MAOB (0.37) MAOBMAOAGPR84CNR1RARB
SCHEMBL9250338 0.98 MAOB (0.37) MAOBMAOAGPR84CNR1RARB
SCHEMBL9249918 0.95 MAOB (0.39) MAOBMAOAGPR84CNR1RARB
SCHEMBL9249924 0.95 MAOB (0.39) MAOBMAOAGPR84CNR1RARB
SCHEMBL9244220 0.94 MAOB (0.36) MAOBMAOAGPR84CNR1RARB
SCHEMBL9244214 0.94 MAOB (0.36) MAOBMAOAGPR84CNR1RARB
SCHEMBL9250244 0.93 RARB (0.38) MAOBMAOAGPR84CNR1RARB
SCHEMBL9250250 0.93 RARB (0.38) MAOBMAOAGPR84CNR1RARB
SCHEMBL9766632 0.89 MAOB (0.35) MAOBMAOAGPR84RARBHRH3
SCHEMBL9159153 0.88 MAOB (0.36) MAOBMAOAGPR84RARBHRH3

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
EP-0445248-A1 PYRIDINE DERIVATIVES. MERCK PATENT GMBH (DE) 1991-09-11 EP disclosed