SCHEMBL23744642

SCHEMBL23744642

C[C@@H]1CN(c2ncc(C#N)cn2)C[C@H](C)N1C(=O)NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 13/20 0.75
CHRM2 P08172 6/20 0.75
CHRM3 P20309 2/20 0.64
CHRM5 P08912 1/20 0.61
CHRM1 P11229 1/20 0.61

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
SCHEMBL23744243 1.00 CHRM4 (0.75) CHRM4CHRM2CHRM3CHRM5CHRM1
SCHEMBL23744242 1.00 CHRM4 (0.75) CHRM4CHRM2CHRM3CHRM5CHRM1
SCHEMBL26430653 0.95 CHRM4 (0.71) CHRM4CHRM2CHRM3CHRM5CHRM1
SCHEMBL23744284 0.92 CHRM4 (0.68) CHRM4CHRM2CHRM3CHRM5CHRM1
SCHEMBL23744283 0.92 CHRM4 (0.68) CHRM4CHRM2CHRM3CHRM5CHRM1
SCHEMBL23744145 0.91 CHRM2 (0.76) CHRM4CHRM2CHRM3CHRM5CHRM1
SCHEMBL23744301 0.91 CHRM2 (0.76) CHRM4CHRM2CHRM3CHRM5CHRM1
SCHEMBL23744441 0.90 CHRM3 (0.75) CHRM4CHRM2CHRM3CHRM5CHRM1
SCHEMBL23744442 0.89 CHRM2 (0.76) CHRM4CHRM2CHRM3CHRM5CHRM1
SCHEMBL23744244 0.89 CHRM4 (0.76) CHRM4CHRM2CHRM3CHRM5CHRM1

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