SCHEMBL2490524

SCHEMBL2490524

O=C(O)Oc1cn(Cc2ccc(-c3ccccc3)cc2)c2cccc(F)c2c1=O

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 5/20 0.71
TOP1 P11387 5/20 0.45
TP53 P04637 1/20 0.44
SERPINE1 P05121 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CNR2 P34972 1/20 0.41

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
SCHEMBL3239675 0.91 CHRM1 (0.57) CHRM1TP53LMNACYP1A2CYP2C9
SCHEMBL2489217 0.91 CHRM1 (0.61) CHRM1TP53LMNA
SCHEMBL2489733 0.89 CHRM1 (0.57) CHRM1TOP1TP53SERPINE1LMNA
SCHEMBL3237319 0.87 CHRM1 (0.53) CHRM1TP53LMNACYP1A2CYP2C9
SCHEMBL2486079 0.85 CHRM1 (0.70) CHRM1TOP1TP53SERPINE1
SCHEMBL2487138 0.85 CHRM1 (0.52) CHRM1TOP1TP53CNR2
SCHEMBL3242044 0.85 CHRM1 (0.49) CHRM1
SCHEMBL2487888 0.84 CHRM1 (0.52) CHRM1TP53
SCHEMBL2490523 0.83 CHRM1 (1.00) CHRM1TOP1LMNA
SCHEMBL2490909 0.83 CHRM1 (0.50) CHRM1TOP1TP53

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