SCHEMBL3237170

SCHEMBL3237170

O=C(O)Oc1cn(Cc2c(F)cc(F)cc2F)c2cccc(F)c2c1=O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 3/20 0.46
KCNH2 Q12809 1/20 0.38
PDE7A Q13946 5/20 0.37
PDE4A P27815 4/20 0.37
TP53 P04637 1/20 0.35
PTGDR2 Q9Y5Y4 3/20 0.35
MAPT P10636 2/20 0.34
GAA P10253 1/20 0.34
SLC22A12 Q96S37 1/20 0.34

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
SCHEMBL3242044 0.93 CHRM1 (0.49) CHRM1PDE7APDE4APTGDR2
SCHEMBL3242291 0.86 CHRM1 (0.46) CHRM1PDE7APDE4ATP53PTGDR2
SCHEMBL3239675 0.85 CHRM1 (0.57) CHRM1TP53MAPTGAA
SCHEMBL3237168 0.82 CHRM1 (0.66) CHRM1PDE7APDE4A
SCHEMBL3230518 0.82 CHRM1 (0.48) CHRM1KCNH2PDE7APDE4ATP53
SCHEMBL2490524 0.81 CHRM1 (0.71) CHRM1TP53
SCHEMBL3238778 0.81 CHRM1 (0.48) CHRM1TP53MAPT
SCHEMBL3238090 0.80 CHRM1 (0.46) CHRM1PDE7APDE4APTGDR2
SCHEMBL3242119 0.80 PTGDR2 (0.48) KCNH2PDE7APDE4ATP53PTGDR2
SCHEMBL3237319 0.79 CHRM1 (0.53) CHRM1PDE7ATP53

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