SCHEMBL2488682

SCHEMBL2488682

O=C(O)Oc1cn(Cc2ccc(-c3ccccc3)cc2F)c2c(F)cccc2c1=O

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 5/20 0.57
MAPT P10636 2/20 0.38
BDKRB1 P46663 2/20 0.37
TP53 P04637 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
CHRM5 P08912 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
NOD2 Q9HC29 1/20 0.35
METTL3 Q86U44 1/20 0.35
METTL14 Q9HCE5 1/20 0.35
TOP1 P11387 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
SCHEMBL3233811 0.89 CHRM1 (0.47) CHRM1MAPTTP53RXFP1PTGDR2
SCHEMBL2488912 0.88 ROCK2 (0.46) CHRM1
SCHEMBL2487940 0.88 CHRM1 (0.44) CHRM1MAPTTP53RXFP1NPC1
SCHEMBL2489039 0.87 CHRM1 (0.74) CHRM1MAPTTP53TOP1
SCHEMBL2487142 0.87 CHRM1 (0.48) CHRM1MAPTCHRM5
SCHEMBL2486084 0.87 CHRM1 (0.53) CHRM1MAPTBDKRB1TP53RXFP1
SCHEMBL2488647 0.86 CHRM1 (0.76) CHRM1MAPTNPC1RAB9ANOD2
SCHEMBL2486645 0.86 CHRM1 (0.42) CHRM1BDKRB1
SCHEMBL2489435 0.84 CHRM1 (0.43) CHRM1MAPTBDKRB1TP53RXFP1
SCHEMBL2485728 0.84 CHRM1 (0.47) 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