SCHEMBL2486079

SCHEMBL2486079

O=C(O)Oc1cn(Cc2ccc(-c3ccccc3)cc2)c2c(F)ccc(F)c2c1=O

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 4/20 0.70
TOP1 P11387 11/20 0.41
SERPINE1 P05121 1/20 0.38
MAPT P10636 1/20 0.38
TP53 P04637 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
SCHEMBL3239024 0.90 CHRM1 (0.57) CHRM1MAPTTP53
SCHEMBL2487847 0.89 CHRM1 (0.70) CHRM1TOP1
SCHEMBL2486084 0.87 CHRM1 (0.53) CHRM1TOP1MAPTTP53
SCHEMBL3236790 0.86 CHRM1 (0.53) CHRM1
SCHEMBL2490524 0.85 CHRM1 (0.71) CHRM1TOP1SERPINE1TP53
SCHEMBL2489039 0.85 CHRM1 (0.74) CHRM1TOP1SERPINE1MAPTTP53
SCHEMBL3237430 0.85 CHRM1 (0.53) CHRM1MAPT
SCHEMBL3239724 0.84 CHRM1 (0.50) CHRM1MAPT
SCHEMBL3241350 0.84 CHRM1 (0.56) CHRM1SERPINE1
SCHEMBL2490815 0.83 CHRM1 (0.49) CHRM1

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