SCHEMBL2489217

SCHEMBL2489217

COc1ccc(-c2ccc(Cn3cc(OC(=O)O)c(=O)c4c(F)cccc43)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 7/20 0.61
SLC5A1 P13866 1/20 0.49
SLC5A2 P31639 1/20 0.49
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 2/20 0.42
TP53 P04637 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
SCHEMBL2490524 0.91 CHRM1 (0.71) CHRM1LMNATP53
SCHEMBL2485974 0.87 CHRM1 (0.82) CHRM1SLC5A1SLC5A2LMNASMN1; SMN2
SCHEMBL3239675 0.86 CHRM1 (0.57) CHRM1LMNASMN1; SMN2POLBALDH1A1
SCHEMBL2487847 0.86 CHRM1 (0.70) CHRM1SLC5A1SLC5A2LMNASMN1; SMN2
SCHEMBL2489733 0.84 CHRM1 (0.57) CHRM1SLC5A1SLC5A2LMNATP53
SCHEMBL2492203 0.84 CHRM1 (0.61) CHRM1SLC5A1SLC5A2LMNASMN1; SMN2
SCHEMBL2491002 0.83 CHRM1 (0.71) CHRM1LMNASMN1; SMN2POLBALDH1A1
SCHEMBL3237319 0.82 CHRM1 (0.53) CHRM1LMNASMN1; SMN2POLBALDH1A1
SCHEMBL2487138 0.82 CHRM1 (0.52) CHRM1SLC5A1SLC5A2TP53
SCHEMBL3242044 0.81 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