SCHEMBL3241379

SCHEMBL3241379

COc1c(F)c(F)c(Cn2cc(OC(=O)O)c(=O)c3ccccc32)c(F)c1F

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.47
LMNA P02545 1/20 0.44
TP53 P04637 3/20 0.43
MAPT P10636 2/20 0.43
BUB1 O43683 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
SCHEMBL3241022 0.87 CHRM1 (0.64) CHRM1LMNATP53
SCHEMBL3236193 0.79 CHRM1 (0.53) CHRM1LMNATP53MAPT
SCHEMBL10863325 0.77 NR4A2 (0.52) CHRM1LMNATP53
SCHEMBL2491002 0.76 CHRM1 (0.71) CHRM1LMNAMAPT
SCHEMBL3241260 0.76 TP53 (0.68) CHRM1LMNATP53MAPT
SCHEMBL3237179 0.75 LMNA (0.59) CHRM1LMNATP53
SCHEMBL3234156 0.75 LMNA (0.62) CHRM1LMNATP53
SCHEMBL2490511 0.75 LMNA (0.59) CHRM1LMNATP53
SCHEMBL2487940 0.73 CHRM1 (0.44) CHRM1LMNATP53MAPT
SCHEMBL2489082 0.73 CHRM1 (0.45) CHRM1TP53MAPT

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