SCHEMBL6892555

SCHEMBL6892555

COc1cc(Cc2cc(C(=O)N[C@H]3CCOC[C@@H]3N)nc3ccccc23)ccn1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 10/20 0.46
MMP3 P08254 1/20 0.46
MMP7 P09237 1/20 0.46
MMP10 P09238 1/20 0.46
CHRM1 P11229 7/20 0.42

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
SCHEMBL2222716 0.91 CHRM1 (0.52) ADAM17MMP3MMP7MMP10CHRM1
SCHEMBL6890080 0.87 BRD4 (0.47) ADAM17MMP3MMP7MMP10CHRM1
SCHEMBL2223735 0.84 CHRM1 (0.51) ADAM17MMP3MMP7MMP10CHRM1
SCHEMBL12803162 0.82 CHRM1 (0.53) ADAM17CHRM1
SCHEMBL2223674 0.80 CHRM1 (0.54) ADAM17MMP3MMP7MMP10CHRM1
SCHEMBL6891498 0.80 CHRM1 (0.50) CHRM1
SCHEMBL2223323 0.80 CHRM1 (0.56) ADAM17MMP3MMP7MMP10CHRM1
SCHEMBL2363404 0.80 CHRM1 (0.56) ADAM17MMP3MMP7MMP10CHRM1
SCHEMBL2223326 0.80 CHRM1 (0.56) ADAM17MMP3MMP7MMP10CHRM1
SCHEMBL6893085 0.79 CHRM1 (0.55) ADAM17MMP3MMP7MMP10CHRM1

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
WO-2011084368-A1 QUINOLINE AMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 WO disclosed