SCHEMBL2222661

SCHEMBL2222661

O=C(NC1CCOCC1O)c1cc(Cc2ccc(O)nc2)c2cccc(F)c2n1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 19/20 0.57
PDE2A O00408 1/20 0.46
PDE11A Q9HCR9 1/20 0.46

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
SCHEMBL2225587 1.00 CHRM1 (0.57) CHRM1PDE2APDE11A
SCHEMBL2364875 0.91 CHRM1 (0.69) CHRM1PDE2APDE11A
SCHEMBL2223555 0.91 CHRM1 (0.69) CHRM1PDE2APDE11A
SCHEMBL2224239 0.91 CHRM1 (0.56) CHRM1PDE2APDE11A
SCHEMBL12803022 0.90 CHRM1 (0.55) CHRM1PDE2APDE11A
SCHEMBL12803024 0.90 CHRM1 (0.55) CHRM1PDE2APDE11A
SCHEMBL6889615 0.90 CHRM1 (0.55) CHRM1PDE2APDE11A
SCHEMBL2352500 0.89 CHRM1 (0.54) CHRM1PDE2APDE11A
SCHEMBL2225836 0.89 CHRM1 (0.51) CHRM1PDE2APDE11A
SCHEMBL12803346 0.88 CHRM1 (0.54) CHRM1PDE2APDE11A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2512243-A1 QUINOLINE AMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS Merck Sharp & Dohme Corp. (US) 2012-10-24 EP disclosed
WO-2011084368-A1 QUINOLINE AMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 WO disclosed