SCHEMBL6890744

SCHEMBL6890744

N[C@H]1CCCC[C@@H]1NC(=O)c1cc(Cc2ccc(-c3ccnnc3)nc2)c2ccccc2n1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 14/20 0.46
ADAM17 P78536 1/20 0.41
WNT3A P56704 1/20 0.39

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
SCHEMBL12802602 0.91 CHRM1 (0.56) CHRM1
SCHEMBL6891135 0.85 CHRM1 (0.57) CHRM1ADAM17
SCHEMBL12803410 0.80 CHRM1 (0.56) CHRM1
SCHEMBL12803343 0.80 CHRM1 (0.58) CHRM1ADAM17
SCHEMBL2363327 0.80 CHRM1 (0.54) CHRM1
SCHEMBL12803798 0.80 CHRM1 (0.54) CHRM1
SCHEMBL6890091 0.79 ADAM17 (0.41) CHRM1ADAM17
SCHEMBL12803113 0.79 CHRM1 (0.58) CHRM1
SCHEMBL12803223 0.79 CHRM1 (0.63) CHRM1ADAM17
SCHEMBL12958957 0.78 CHRM1 (0.58) CHRM1

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