SCHEMBL2490966

SCHEMBL2490966

O=C(O)Oc1cn(Cc2ccc(-c3ccnc(F)c3)cc2F)c2ccccc2c1=O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 3/20 0.42
TP53 P04637 4/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MAPT P10636 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
NOD2 Q9HC29 1/20 0.39
LMNA P02545 1/20 0.38
CAPN1 P07384 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL2487940 0.89 CHRM1 (0.44) CHRM1TP53RXFP1MAPTNPC1
SCHEMBL2490004 0.88 CHRM1 (0.54) CHRM1TP53RXFP1MAPTNPC1
SCHEMBL2489082 0.85 CHRM1 (0.45) CHRM1TP53RXFP1MAPTNPC1
SCHEMBL2485714 0.84 CHRM1 (0.45) CHRM1TP53RXFP1MAPTNPC1
SCHEMBL2487937 0.84 CHRM1 (0.42) CHRM1TP53RXFP1MAPTNPC1
SCHEMBL2488401 0.84 CHRM1 (0.62) CHRM1
SCHEMBL2488348 0.82 CHRM1 (0.40) CHRM1CAPN1
SCHEMBL2486150 0.81 MAPT (0.41) CHRM1TP53RXFP1MAPTNPC1
SCHEMBL2492209 0.80 CHRM1 (0.44) CHRM1TP53RXFP1MAPTNPC1
SCHEMBL2488682 0.78 CHRM1 (0.57) CHRM1TP53RXFP1MAPTNPC1

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