SCHEMBL9766632

SCHEMBL9766632

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.35
MAOA P21397 1/20 0.35
GPR84 Q9NQS5 1/20 0.34
RARB P10826 1/20 0.33
HRH3 Q9Y5N1 2/20 0.32
S1PR1 P21453 2/20 0.32
S1PR5 Q9H228 2/20 0.32
S1PR4 O95977 1/20 0.32
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 2/20 0.31
RAB9A P51151 2/20 0.31
MAPT P10636 2/20 0.31
CTRC Q99895 1/20 0.31
HSD11B1 P28845 1/20 0.31
MPL P40238 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL9159153 0.99 MAOB (0.36) MAOBMAOAGPR84RARBHRH3
SCHEMBL9159159 0.99 MAOB (0.36) MAOBMAOAGPR84RARBHRH3
SCHEMBL9154684 0.95 MAOB (0.35) MAOBMAOAGPR84RARBHRH3
SCHEMBL9154686 0.95 MAOB (0.35) MAOBMAOAGPR84RARBHRH3
SCHEMBL9159898 0.95 MAOB (0.38) MAOBMAOAGPR84RARBHRH3
SCHEMBL9159903 0.95 MAOB (0.38) MAOBMAOAGPR84RARBHRH3
SCHEMBL9766729 0.89 MAOB (0.36) MAOBMAOAGPR84RARBHRH3
SCHEMBL9158991 0.89 MAOB (0.34) MAOBMAOAGPR84
SCHEMBL9158990 0.89 MAOB (0.34) MAOBMAOAGPR84
SCHEMBL9250344 0.87 MAOB (0.37) 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