SCHEMBL2487142

SCHEMBL2487142

O=C(O)Oc1cn(Cc2ccc(-c3cnn(Cc4ccccc4)c3)cc2F)c2c(F)cccc2c1=O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 7/20 0.48
CREBBP Q92793 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
FFAR4 Q5NUL3 1/20 0.38
KLKB1 P03952 2/20 0.38
COMT P21964 1/20 0.37
NAMPT P43490 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PI4KA P42356 1/20 0.36
PIK3CG P48736 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
USP30 Q70CQ3 1/20 0.36
DGAT2 Q96PD7 1/20 0.36
CHRM5 P08912 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL2485728 0.89 CHRM1 (0.47) CHRM1NAMPTCHRM5
SCHEMBL2488459 0.89 CHRM1 (0.62) CHRM1CREBBPL3MBTL1KLKB1CHRM5
SCHEMBL2488682 0.87 CHRM1 (0.57) CHRM1CHRM5MAPT
SCHEMBL2488912 0.83 ROCK2 (0.46) CHRM1
SCHEMBL2486645 0.81 CHRM1 (0.42) CHRM1PIK3CA
SCHEMBL2491208 0.81 CHRM1 (0.53) CHRM1CREBBPKLKB1NAMPTMAPT
SCHEMBL3234399 0.81 CHRM1 (0.63) CHRM1MAPT
SCHEMBL3233811 0.80 CHRM1 (0.47) CHRM1MAPT
SCHEMBL2489435 0.80 CHRM1 (0.43) CHRM1MAPT
SCHEMBL2492079 0.79 CHRM1 (0.57) CHRM1MAPT

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