SCHEMBL23744444

SCHEMBL23744444

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

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 8/20 0.50
CHRM1 P11229 7/20 0.50
CHRM4 P08173 8/20 0.43
CHRM3 P20309 4/20 0.43
TIPARP Q7Z3E1 1/20 0.42
HRH3 Q9Y5N1 2/20 0.41
CHRM5 P08912 1/20 0.39
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 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
SCHEMBL23744252 1.00 CHRM2 (0.50) CHRM2CHRM1CHRM4CHRM3TIPARP
SCHEMBL23744254 0.91 CHRM1 (0.48) CHRM2CHRM1CHRM4CHRM3TIPARP
SCHEMBL23744255 0.91 CHRM1 (0.48) CHRM2CHRM1CHRM4CHRM3TIPARP
SCHEMBL23744446 0.87 CHRM4 (0.52) CHRM2CHRM1CHRM4CHRM3TIPARP
SCHEMBL23744445 0.86 CHRM1 (0.53) CHRM2CHRM1CHRM4CHRM3CHRM5
SCHEMBL26429352 0.86 CHRM2 (0.43) CHRM2CHRM1CHRM4CHRM3TIPARP
SCHEMBL26429344 0.86 CHRM2 (0.43) CHRM2CHRM1CHRM4CHRM3TIPARP
SCHEMBL23744447 0.86 CHRM2 (0.47) CHRM2CHRM1CHRM4CHRM3TIPARP
SCHEMBL23744181 0.86 CHRM2 (0.61) CHRM2CHRM1CHRM4CHRM3CHRM5
SCHEMBL23744223 0.86 CHRM2 (0.69) CHRM2CHRM1CHRM4CHRM3CHRM5

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