SCHEMBL6890091

SCHEMBL6890091

C=C(O/C=C\N)c1ccc(Cc2cc(C(=O)N[C@H]3CCCC[C@@H]3N)nc3ccccc23)cn1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 4/20 0.41
CHRM1 P11229 8/20 0.40
SSTR3 P32745 1/20 0.37
SYK P43405 2/20 0.36
MMP3 P08254 1/20 0.35
MMP7 P09237 1/20 0.35
MMP10 P09238 1/20 0.35

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
SCHEMBL6891135 0.82 CHRM1 (0.57) ADAM17CHRM1MMP3MMP7MMP10
SCHEMBL6890744 0.79 CHRM1 (0.46) ADAM17CHRM1
SCHEMBL17656793 0.73 CHRM1 (0.55) ADAM17CHRM1MMP3MMP7MMP10
SCHEMBL6890441 0.73 CHRM1 (0.60) ADAM17CHRM1
SCHEMBL6891025 0.73 CHRM1 (0.70) CHRM1
SCHEMBL2223684 0.73 CHRM1 (0.70) CHRM1
SCHEMBL2223955 0.73 CHRM1 (0.70) CHRM1
SCHEMBL12802941 0.73 CHRM1 (0.70) CHRM1
SCHEMBL2221937 0.73 CHRM1 (0.70) CHRM1
SCHEMBL2275863 0.73 CHRM1 (0.70) ADAM17CHRM1

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