SCHEMBL2488124

SCHEMBL2488124

CN(C)c1ccc(-c2ccc(Cn3cc(OC(=O)O)c(=O)c4cccc(F)c43)cc2)cn1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 7/20 0.55
HDAC6 Q9UBN7 1/20 0.43
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
SLC5A1 P13866 1/20 0.35
SLC5A2 P31639 1/20 0.35
MAPT P10636 1/20 0.35
TOP1 P11387 6/20 0.35
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL2487130 0.88 CHRM1 (0.71) CHRM1HDAC6TOP1
SCHEMBL2490145 0.88 CHRM1 (0.59) CHRM1SLC5A1SLC5A2MAPTTOP1
SCHEMBL2487941 0.87 CHRM1 (0.58) CHRM1SLC5A1SLC5A2MAPTTOP1
SCHEMBL2488388 0.87 CHRM1 (0.56) CHRM1NPC1SLC5A1SLC5A2TOP1
SCHEMBL2489039 0.85 CHRM1 (0.74) CHRM1MAPTTOP1
SCHEMBL2485661 0.84 CHRM1 (0.61) CHRM1TOP1
SCHEMBL2492079 0.83 CHRM1 (0.57) CHRM1SLC5A1SLC5A2MAPTTOP1
SCHEMBL2488339 0.83 CHRM1 (0.53) CHRM1SLC5A1SLC5A2TOP1
SCHEMBL2488155 0.83 CHRM1 (0.53) CHRM1TOP1
SCHEMBL2489439 0.82 CHRM1 (0.51) CHRM1TOP1

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-2037739-B1 BENZYL-SUBSTITUTED QUINOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2011-10-26 EP claimed