SCHEMBL23744255

SCHEMBL23744255

C[C@@H]1CN(c2ncc(C(F)(F)F)cn2)C[C@H](C)N1C(=O)OC1CCN(CCC(C)(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 7/20 0.48
CHRM2 P08172 6/20 0.48
HRH3 Q9Y5N1 3/20 0.42
CHRM4 P08173 8/20 0.41
CHRM3 P20309 4/20 0.41
KCNH2 Q12809 1/20 0.41
CACNA1I Q9P0X4 1/20 0.41
CHRM5 P08912 1/20 0.40
TIPARP Q7Z3E1 1/20 0.40

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
SCHEMBL23744254 1.00 CHRM1 (0.48) CHRM1CHRM2HRH3CHRM4CHRM3
SCHEMBL23744252 0.91 CHRM2 (0.50) CHRM1CHRM2HRH3CHRM4CHRM3
SCHEMBL23744444 0.91 CHRM2 (0.50) CHRM1CHRM2HRH3CHRM4CHRM3
SCHEMBL23744443 0.87 CHRM1 (0.51) CHRM1CHRM2CHRM4CHRM3KCNH2
SCHEMBL26429343 0.86 CHRM2 (0.41) CHRM1CHRM2HRH3CHRM4CHRM3
SCHEMBL26429349 0.86 CHRM2 (0.41) CHRM1CHRM2HRH3CHRM4CHRM3
SCHEMBL23744446 0.84 CHRM4 (0.52) CHRM1CHRM2HRH3CHRM4CHRM3
SCHEMBL23744223 0.83 CHRM2 (0.69) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL23744447 0.83 CHRM2 (0.47) CHRM1CHRM2HRH3CHRM4CHRM3
SCHEMBL23744181 0.83 CHRM2 (0.61) CHRM1CHRM2CHRM4CHRM3CHRM5

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