SCHEMBL2489733

SCHEMBL2489733

O=C(O)Oc1cn(Cc2ccc(-c3ccc(F)nc3)cc2)c2cccc(F)c2c1=O

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 7/20 0.57
TP53 P04637 1/20 0.37
TOP1 P11387 3/20 0.37
SLC5A1 P13866 1/20 0.36
SLC5A2 P31639 1/20 0.36
SERPINE1 P05121 1/20 0.36
PLA2G2A P14555 2/20 0.35
CNR2 P34972 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL2490524 0.89 CHRM1 (0.71) CHRM1TP53TOP1SERPINE1CNR2
SCHEMBL2487138 0.88 CHRM1 (0.52) CHRM1TP53TOP1SLC5A1SLC5A2
SCHEMBL2490909 0.86 CHRM1 (0.50) CHRM1TP53TOP1
SCHEMBL2489730 0.85 CHRM1 (0.78) CHRM1TOP1LMNA
SCHEMBL2490145 0.85 CHRM1 (0.59) CHRM1TP53TOP1SLC5A1SLC5A2
SCHEMBL3239675 0.85 CHRM1 (0.57) CHRM1TP53PLA2G2ACNR2LMNA
SCHEMBL2489217 0.84 CHRM1 (0.61) CHRM1TP53SLC5A1SLC5A2LMNA
SCHEMBL3237319 0.81 CHRM1 (0.53) CHRM1TP53CNR2LMNACYP1A2
SCHEMBL2487888 0.80 CHRM1 (0.52) CHRM1TP53
SCHEMBL3242044 0.79 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