SCHEMBL23744746

SCHEMBL23744746

CC1CN(c2ncc(C(F)(F)F)cn2)C[C@@H](C)N1C(=O)OC1CC2(C1)CN(Cc1ccccc1)C2

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 14/20 0.57
CHRM1 P11229 11/20 0.57
CHRM3 P20309 4/20 0.49
CHRM4 P08173 6/20 0.46
CHRM5 P08912 2/20 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
SCHEMBL23744197 1.00 CHRM2 (0.57) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL26429331 1.00 CHRM2 (0.57) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL26431799 0.94 CHRM2 (0.53) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL26429774 0.92 CHRM2 (0.48) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL26429751 0.92 CHRM2 (0.50) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL26429790 0.91 CHRM2 (0.46) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL23744745 0.90 CHRM4 (0.54) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL26429368 0.90 CHRM4 (0.54) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL26090162 0.90 CHRM1 (0.47) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL31492269 0.89 CHRM2 (0.45) CHRM2CHRM1CHRM3CHRM4CHRM5

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