SCHEMBL23744273

SCHEMBL23744273

C[C@@H]1CN(c2cnc(C(F)(F)F)cn2)C[C@@H](C)N1C(=O)OC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 12/20 0.70
CHRM1 P11229 9/20 0.70
CHRM5 P08912 2/20 0.70
CHRM3 P20309 2/20 0.70
CHRM4 P08173 7/20 0.51

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
SCHEMBL23744272 1.00 CHRM2 (0.70) CHRM2CHRM1CHRM5CHRM3CHRM4
SCHEMBL23744714 0.93 CHRM2 (0.60) CHRM2CHRM1CHRM5CHRM3CHRM4
SCHEMBL23744684 0.93 CHRM2 (0.60) CHRM2CHRM1CHRM5CHRM3CHRM4
SCHEMBL23744470 0.92 CHRM2 (0.59) CHRM2CHRM1CHRM5CHRM3CHRM4
SCHEMBL23744788 0.92 CHRM2 (0.59) CHRM2CHRM1CHRM5CHRM3CHRM4
SCHEMBL23744473 0.92 CHRM2 (0.59) CHRM2CHRM1CHRM5CHRM3CHRM4
SCHEMBL23744741 0.90 CHRM2 (0.57) CHRM2CHRM1CHRM5CHRM3CHRM4
SCHEMBL26434941 0.90 CHRM2 (0.57) CHRM2CHRM1CHRM5CHRM3CHRM4
SCHEMBL23744135 0.90 CHRM2 (0.57) CHRM2CHRM1CHRM5CHRM3CHRM4
SCHEMBL23744224 0.90 CHRM2 (0.70) CHRM2CHRM1CHRM5CHRM3CHRM4

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