SCHEMBL2492209

SCHEMBL2492209

Cc1n[nH]c(C)c1-c1ccc(Cn2cc(OC(=O)O)c(=O)c3ccccc32)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 4/20 0.44
MAPT P10636 3/20 0.42
TP53 P04637 6/20 0.39
RXFP1 Q9HBX9 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
NOD2 Q9HC29 1/20 0.38

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
SCHEMBL2489922 0.89 CHRM1 (0.51) CHRM1MAPTTP53RXFP1SMN1; SMN2
SCHEMBL2487940 0.84 CHRM1 (0.44) CHRM1MAPTTP53RXFP1NPC1
SCHEMBL2486150 0.83 MAPT (0.41) CHRM1MAPTTP53RXFP1PTGDR2
SCHEMBL2485714 0.81 CHRM1 (0.45) CHRM1MAPTTP53RXFP1NPC1
SCHEMBL2489082 0.80 CHRM1 (0.45) CHRM1MAPTTP53RXFP1SMN1; SMN2
SCHEMBL2488401 0.80 CHRM1 (0.62) CHRM1
SCHEMBL2490966 0.80 CHRM1 (0.42) CHRM1MAPTTP53RXFP1SMN1; SMN2
SCHEMBL2487937 0.78 CHRM1 (0.42) CHRM1MAPTTP53RXFP1NPC1
SCHEMBL2488682 0.72 CHRM1 (0.57) CHRM1MAPTTP53RXFP1PTGDR2
SCHEMBL2486148 0.71 CHRM1 (0.52) CHRM1MAPTTP53NPC1RAB9A

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