SCHEMBL2489082

SCHEMBL2489082

COc1ncc(-c2ccc(Cn3cc(OC(=O)O)c(=O)c4ccccc43)c(F)c2)cn1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 4/20 0.45
MAPT P10636 4/20 0.41
TP53 P04637 3/20 0.41
RXFP1 Q9HBX9 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
NOD2 Q9HC29 1/20 0.39
ALOX5AP P20292 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
SCHEMBL2486132 0.89 CHRM1 (0.56) CHRM1MAPTTP53RXFP1SMN1; SMN2
SCHEMBL2487940 0.88 CHRM1 (0.44) CHRM1MAPTTP53RXFP1NPC1
SCHEMBL2485714 0.86 CHRM1 (0.45) CHRM1MAPTTP53RXFP1NPC1
SCHEMBL2488401 0.86 CHRM1 (0.62) CHRM1
SCHEMBL2490966 0.85 CHRM1 (0.42) CHRM1MAPTTP53RXFP1SMN1; SMN2
SCHEMBL2487937 0.82 CHRM1 (0.42) CHRM1MAPTTP53RXFP1NPC1
SCHEMBL2486150 0.81 MAPT (0.41) CHRM1MAPTTP53RXFP1SMN1; SMN2
SCHEMBL2492209 0.80 CHRM1 (0.44) CHRM1MAPTTP53RXFP1SMN1; SMN2
SCHEMBL2486645 0.80 CHRM1 (0.42) CHRM1
SCHEMBL2488682 0.76 CHRM1 (0.57) CHRM1MAPTTP53RXFP1NPC1

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