SCHEMBL23744644

SCHEMBL23744644

C[C@@H]1CN(c2ncc(C(F)(F)F)cn2)C[C@@H](C)N1C(=O)NCC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.85

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 13/20 0.85
CHRM1 P11229 10/20 0.85
CHRM3 P20309 5/20 0.72
CHRM4 P08173 6/20 0.71
CHRM5 P08912 3/20 0.65

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
SCHEMBL23744595 1.00 CHRM2 (0.85) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL26430672 0.95 CHRM2 (0.77) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL29432402 0.92 CHRM2 (1.00) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL23478449 0.92 CHRM2 (1.00) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL23744585 0.88 CHRM2 (0.77) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL23744640 0.88 CHRM2 (0.77) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL26089100 0.87 CHRM2 (0.69) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL26133315 0.87 CHRM2 (0.69) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL23744510 0.86 CHRM2 (0.64) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL23744422 0.86 CHRM2 (0.64) 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