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Sugi Predict / Compounds / SCHEMBL2224665

SCHEMBL2224665

SCHEMBL2224665

O=C(N[C@H]1CCOC[C@H]1O)c1cc(Cc2ccc(Cl)cc2)c2ccccc2n1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 12/20 0.69
▸ ADAM17 P78536 7/20 0.54
▸ MMP3 P08254 1/20 0.53
▸ MMP7 P09237 1/20 0.53
▸ MMP10 P09238 1/20 0.53

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
SCHEMBL2224663 1.00 CHRM1 (0.69) CHRM1ADAM17MMP3MMP7MMP10
SCHEMBL6892534 1.00 CHRM1 (0.69) CHRM1ADAM17MMP3MMP7MMP10
SCHEMBL12803453 0.89 CHRM1 (0.72) CHRM1
SCHEMBL2270029 0.88 CHRM1 (0.70) CHRM1ADAM17MMP3MMP7MMP10
SCHEMBL2272976 0.88 CHRM1 (0.56) CHRM1ADAM17MMP3MMP7MMP10
SCHEMBL2272502 0.87 CHRM1 (0.66) CHRM1
SCHEMBL2223726 0.87 CHRM1 (0.54) CHRM1ADAM17
SCHEMBL6889851 0.86 CHRM1 (0.59) CHRM1ADAM17MMP3MMP7MMP10
SCHEMBL2272831 0.86 CHRM1 (0.62) CHRM1ADAM17MMP3MMP7MMP10
SCHEMBL6893085 0.85 CHRM1 (0.55) CHRM1ADAM17MMP3MMP7MMP10

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