SCHEMBL2491208

SCHEMBL2491208

CC(C)Cn1cc(-c2ccc(Cn3cc(OC(=O)O)c(=O)c4cccc(F)c43)cc2)cn1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 4/20 0.53
NAMPT P43490 1/20 0.43
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
CREBBP Q92793 3/20 0.35
ADORA3 P0DMS8 2/20 0.35
ADORA2B P29275 2/20 0.35
ACHE P22303 2/20 0.34
MAPT P10636 1/20 0.34
KLKB1 P03952 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
TOP1 P11387 2/20 0.34
PTGES O14684 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
SCHEMBL2488064 0.89 CHRM1 (0.69) CHRM1NAMPTTOP1
SCHEMBL2492079 0.87 CHRM1 (0.57) CHRM1MAPTTOP1
SCHEMBL2489039 0.83 CHRM1 (0.74) CHRM1MAPTCNR2TOP1
SCHEMBL2490145 0.81 CHRM1 (0.59) CHRM1MAPTTOP1
SCHEMBL2492203 0.81 CHRM1 (0.61) CHRM1TOP1
SCHEMBL2487142 0.81 CHRM1 (0.48) CHRM1NAMPTCREBBPMAPTKLKB1
SCHEMBL2487941 0.81 CHRM1 (0.58) CHRM1MAPTTOP1
SCHEMBL2485661 0.81 CHRM1 (0.61) CHRM1TOP1
SCHEMBL2488388 0.80 CHRM1 (0.56) CHRM1TOP1
SCHEMBL2488124 0.79 CHRM1 (0.55) CHRM1MAPTTOP1

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