SCHEMBL23744447

SCHEMBL23744447

C[C@@H]1CN(c2ncc(C(F)(F)F)cn2)C[C@H](C)N1C(=O)OC1CCN(CC2CC2(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 6/20 0.47
CHRM1 P11229 6/20 0.47
CHRM4 P08173 11/20 0.40
CHRM3 P20309 3/20 0.40
TIPARP Q7Z3E1 1/20 0.39
HRH3 Q9Y5N1 2/20 0.39

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
SCHEMBL26429353 0.88 CHRM2 (0.41) CHRM2CHRM1CHRM4CHRM3TIPARP
SCHEMBL23744446 0.86 CHRM4 (0.52) CHRM2CHRM1CHRM4CHRM3TIPARP
SCHEMBL23744252 0.86 CHRM2 (0.50) CHRM2CHRM1CHRM4CHRM3TIPARP
SCHEMBL23744444 0.86 CHRM2 (0.50) CHRM2CHRM1CHRM4CHRM3TIPARP
SCHEMBL23744420 0.84 CHRM1 (0.53) CHRM2CHRM1CHRM4CHRM3
SCHEMBL23744254 0.83 CHRM1 (0.48) CHRM2CHRM1CHRM4CHRM3TIPARP
SCHEMBL23744255 0.83 CHRM1 (0.48) CHRM2CHRM1CHRM4CHRM3TIPARP
SCHEMBL23744223 0.82 CHRM2 (0.69) CHRM2CHRM1CHRM4CHRM3
SCHEMBL23744195 0.82 CHRM2 (0.69) CHRM2CHRM1CHRM4CHRM3
SCHEMBL23744181 0.82 CHRM2 (0.61) CHRM2CHRM1CHRM4CHRM3

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