SCHEMBL24945635

SCHEMBL24945635

C[C@@H]1CN(c2ncc(S(C)(=O)=O)cn2)C[C@H](C)N1C(=O)OC1(C)CCN(Cc2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 10/20 0.49
CHRM4 P08173 8/20 0.49
CHRM1 P11229 7/20 0.47
CHRM3 P20309 2/20 0.43
CHRM5 P08912 1/20 0.43
GPR119 Q8TDV5 2/20 0.42

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
SCHEMBL31492283 0.88 CHRM2 (0.44) CHRM2CHRM4CHRM1CHRM3CHRM5
SCHEMBL23744538 0.87 CHRM2 (0.63) CHRM2CHRM4CHRM1CHRM3CHRM5
SCHEMBL23744624 0.87 CHRM2 (0.63) CHRM2CHRM4CHRM1CHRM3CHRM5
SCHEMBL23744523 0.86 CHRM4 (0.63) CHRM2CHRM4CHRM1CHRM3CHRM5
SCHEMBL23744625 0.86 CHRM4 (0.63) CHRM2CHRM4CHRM1CHRM3CHRM5
SCHEMBL24945626 0.86 CHRM2 (0.53) CHRM2CHRM4CHRM1CHRM3CHRM5
SCHEMBL24945627 0.84 GPR119 (0.51) CHRM2CHRM4CHRM1CHRM3CHRM5
SCHEMBL23744558 0.82 CHRM2 (0.64) CHRM2CHRM4CHRM1CHRM3CHRM5
SCHEMBL23744626 0.82 CHRM2 (0.64) CHRM2CHRM4CHRM1CHRM3CHRM5
SCHEMBL31492279 0.82 CHRM2 (0.43) CHRM2CHRM4CHRM1CHRM3CHRM5

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-2023010078-A1 MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. (US) 2023-02-02 WO disclosed