SCHEMBL6890837

SCHEMBL6890837

Cn1cc(-c2ccc(Cc3cc(C(=O)NC4CCOCC4)nc4ccccc34)cc2)cn1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 11/20 0.69
CCNC P24863 1/20 0.52
CDK8 P49336 1/20 0.52
BRD4 O60885 2/20 0.48
GRM2 Q14416 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
SCHEMBL6889896 0.90 CHRM1 (0.78) CHRM1BRD4
SCHEMBL21935401 0.88 CHRM1 (0.64) CHRM1CCNCCDK8BRD4
SCHEMBL2226588 0.88 CHRM1 (0.74) CHRM1
SCHEMBL21935669 0.86 CHRM1 (0.64) CHRM1CCNCCDK8BRD4
SCHEMBL23673084 0.86 CHRM1 (0.64) CHRM1CCNCCDK8BRD4
SCHEMBL16948147 0.84 CHRM1 (0.78) CHRM1CCNCCDK8
SCHEMBL21935357 0.83 CHRM1 (0.64) CHRM1CCNCCDK8BRD4
SCHEMBL21859103 0.81 CHRM1 (1.00) CHRM1
SCHEMBL6891034 0.81 CHRM1 (0.65) CHRM1CCNCCDK8
SCHEMBL17656776 0.81 CHRM1 (0.65) 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