SCHEMBL23744442

SCHEMBL23744442

C[C@@H]1CN(c2ccc(C#N)cn2)C[C@H](C)N1C(=O)NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 7/20 0.76
CHRM4 P08173 10/20 0.64
CHRM5 P08912 1/20 0.59
CHRM1 P11229 1/20 0.59
PRKAA2 P54646 3/20 0.56
CHRM3 P20309 1/20 0.52

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
SCHEMBL26430537 0.95 CHRM2 (0.71) CHRM2CHRM4CHRM5CHRM1PRKAA2
SCHEMBL23744243 0.89 CHRM4 (0.75) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL23744242 0.89 CHRM4 (0.75) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL23744642 0.89 CHRM4 (0.75) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL23744074 0.88 CHRM4 (0.76) CHRM2CHRM4CHRM5CHRM1PRKAA2
SCHEMBL26087105 0.87 CHRM2 (0.64) CHRM2CHRM4CHRM5CHRM1PRKAA2
SCHEMBL29432374 0.86 CHRM2 (1.00) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL18825902 0.86 CHRM2 (1.00) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL25046266 0.86 CHRM2 (1.00) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL26430653 0.84 CHRM4 (0.71) CHRM2CHRM4CHRM5CHRM1CHRM3

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-2021158698-A1 MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. (US) 2021-08-12 WO disclosed