SCHEMBL3235484

SCHEMBL3235484

COc1ccc(Cn2cc(OC(=O)O)c(=O)c3cccc(F)c32)cc1F

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.52
TDP1 Q9NUW8 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 1/20 0.41
PTGER4 P35408 1/20 0.41
DBH P09172 1/20 0.41
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
MAPK10 P53779 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ROCK2 O75116 1/20 0.40
P2RX7 Q99572 2/20 0.40
SLC5A1 P13866 1/20 0.39
SLC5A2 P31639 1/20 0.39

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
SCHEMBL3234589 0.89 CHRM1 (0.55) CHRM1SMN1; SMN2LMNAP2RX7
SCHEMBL3234425 0.89 CHRM1 (0.48) CHRM1SMN1; SMN2GAAP2RX7SLC5A1
SCHEMBL3235478 0.89 CHRM1 (0.67) CHRM1TDP1SMN1; SMN2GAALMNA
SCHEMBL3234289 0.88 CHRM1 (0.49) CHRM1SMN1; SMN2GAALMNASLC5A1
SCHEMBL3232234 0.88 CHRM1 (0.56) CHRM1SMN1; SMN2LMNASLC5A1SLC5A2
SCHEMBL3236193 0.87 CHRM1 (0.53) CHRM1SMN1; SMN2LMNA
SCHEMBL3237961 0.86 CHRM1 (0.54) CHRM1SMN1; SMN2LMNAP2RX7
SCHEMBL3240976 0.85 CHRM1 (0.56) CHRM1TDP1SMN1; SMN2DBHLMNA
SCHEMBL2492203 0.85 CHRM1 (0.61) CHRM1SMN1; SMN2LMNASLC5A1SLC5A2
SCHEMBL3234399 0.85 CHRM1 (0.63) CHRM1LMNA

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-1963271-B1 QUINOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2010-07-28 EP claimed