SCHEMBL2486084

SCHEMBL2486084

O=C(O)Oc1cn(Cc2ccc(-c3ccccc3)cc2F)c2c(F)ccc(F)c2c1=O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 5/20 0.53
CHRM5 P08912 1/20 0.37
MAPT P10636 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
BDKRB1 P46663 1/20 0.34
TP53 P04637 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
TOP1 P11387 2/20 0.33
ACLY P53396 2/20 0.33
S1PR1 P21453 1/20 0.33
P2RX7 Q99572 1/20 0.33

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
SCHEMBL2487909 0.90 CHRM1 (0.43) CHRM1P2RX7
SCHEMBL2492208 0.88 CHRM1 (0.41) CHRM1CHRM5PTGDR2
SCHEMBL2488348 0.87 CHRM1 (0.40) CHRM1
SCHEMBL2492205 0.87 CHRM1 (0.41) CHRM1PTGDR2
SCHEMBL2486079 0.87 CHRM1 (0.70) CHRM1MAPTTP53TOP1
SCHEMBL2488682 0.87 CHRM1 (0.57) CHRM1CHRM5MAPTBDKRB1TP53
SCHEMBL2488465 0.86 CHRM1 (0.41) CHRM1HTR2CHTR2BPTGDR2P2RX7
SCHEMBL2488979 0.86 CHRM1 (0.39) CHRM1MAPTTP53P2RX7
SCHEMBL2487590 0.85 S1PR1 (0.42) CHRM1S1PR1
SCHEMBL2491881 0.84 ERN1 (0.42) 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