SCHEMBL2485728

SCHEMBL2485728

CCCn1cc(-c2ccc(Cn3cc(OC(=O)O)c(=O)c4cccc(F)c43)c(F)c2)cn1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 15/20 0.47
NAMPT P43490 2/20 0.42
CHRM5 P08912 1/20 0.39
CTSK P43235 1/20 0.38
CTSC P53634 1/20 0.38
SYK P43405 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36

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
SCHEMBL2487142 0.89 CHRM1 (0.48) CHRM1NAMPTCHRM5
SCHEMBL2485727 0.89 CHRM1 (0.60) CHRM1NAMPTCHRM5CTSKCTSC
SCHEMBL2489080 0.87 CHRM1 (0.62) CHRM1NAMPTCHRM5CTSKCTSC
SCHEMBL2488682 0.84 CHRM1 (0.57) CHRM1CHRM5
SCHEMBL2489435 0.82 CHRM1 (0.43) CHRM1
SCHEMBL2488912 0.82 ROCK2 (0.46) CHRM1
SCHEMBL2486645 0.82 CHRM1 (0.42) CHRM1
SCHEMBL2491172 0.80 CHRM1 (0.57) CHRM1NAMPTCHRM5PRMT5WDR77
SCHEMBL3233811 0.79 CHRM1 (0.47) CHRM1
SCHEMBL2488401 0.79 CHRM1 (0.62) 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