SCHEMBL2489080

SCHEMBL2489080

CCCn1cc(-c2ccc(Cn3cc(OC(=O)O)c(=O)c4c(F)cccc43)c(F)c2)cn1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 18/20 0.62
NAMPT P43490 1/20 0.42
CHRM5 P08912 1/20 0.39
CTSK P43235 1/20 0.38
CTSC P53634 1/20 0.38

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
SCHEMBL2490480 0.90 CHRM1 (0.76) CHRM1CHRM5
SCHEMBL2484371 0.89 CHRM1 (0.59) CHRM1NAMPTCHRM5CTSKCTSC
SCHEMBL2488634 0.87 CHRM1 (0.81) CHRM1NAMPTCHRM5CTSKCTSC
SCHEMBL2485728 0.87 CHRM1 (0.47) CHRM1NAMPTCHRM5CTSKCTSC
SCHEMBL2487495 0.82 CHRM1 (0.55) CHRM1
SCHEMBL2488401 0.79 CHRM1 (0.62) CHRM1CHRM5
SCHEMBL3238778 0.78 CHRM1 (0.48) CHRM1CHRM5
SCHEMBL2485727 0.77 CHRM1 (0.60) CHRM1NAMPTCHRM5CTSKCTSC
SCHEMBL2484775 0.77 CHRM1 (0.77) CHRM1CHRM5CTSKCTSC
SCHEMBL2490478 0.77 CHRM1 (1.00) CHRM1CHRM5

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