SCHEMBL23744580

SCHEMBL23744580

C[C@@H]1CN(c2cnc(Cl)cn2)C[C@H](C)N1C(=O)OC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 8/20 0.54
CHRM2 P08172 8/20 0.53
CHRM1 P11229 5/20 0.53
CHRM5 P08912 2/20 0.53
CHRM3 P20309 2/20 0.53
BCHE P06276 2/20 0.47

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
SCHEMBL23744517 0.90 CHRM2 (0.52) CHRM4CHRM2CHRM1CHRM5CHRM3
SCHEMBL23744529 0.90 CHRM2 (0.52) CHRM4CHRM2CHRM1CHRM5CHRM3
SCHEMBL23744272 0.87 CHRM2 (0.70) CHRM4CHRM2CHRM1CHRM5CHRM3
SCHEMBL24945781 0.87 CHRM2 (0.50) CHRM4CHRM2CHRM1CHRM5CHRM3
SCHEMBL23744273 0.87 CHRM2 (0.70) CHRM4CHRM2CHRM1CHRM5CHRM3
SCHEMBL34463963 0.86 CHRM4 (0.44) CHRM4CHRM2CHRM1CHRM5CHRM3
SCHEMBL30345678 0.86 CHRM4 (0.44) CHRM4CHRM2CHRM1CHRM5CHRM3
SCHEMBL23744206 0.86 NPC1 (0.54) CHRM4CHRM2CHRM1CHRM5CHRM3
SCHEMBL23744256 0.86 NPC1 (0.54) CHRM4CHRM2CHRM1CHRM5CHRM3
SCHEMBL23744488 0.86 CHRM2 (0.55) CHRM4CHRM2CHRM1CHRM5CHRM3

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