SCHEMBL23744487

SCHEMBL23744487

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

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 10/20 0.55
CHRM1 P11229 8/20 0.55
CHRM3 P20309 3/20 0.55
CHRM5 P08912 2/20 0.55
CHRM4 P08173 9/20 0.50

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
SCHEMBL23744488 1.00 CHRM2 (0.55) CHRM2CHRM1CHRM3CHRM5CHRM4
SCHEMBL23744272 0.88 CHRM2 (0.70) CHRM2CHRM1CHRM3CHRM5CHRM4
SCHEMBL23744273 0.88 CHRM2 (0.70) CHRM2CHRM1CHRM3CHRM5CHRM4
SCHEMBL26429466 0.88 CHRM2 (0.45) CHRM2CHRM1CHRM3CHRM5CHRM4
SCHEMBL26429461 0.88 CHRM2 (0.45) CHRM2CHRM1CHRM3CHRM5CHRM4
SCHEMBL23744580 0.86 CHRM4 (0.54) CHRM2CHRM1CHRM3CHRM5CHRM4
SCHEMBL23744138 0.85 CHRM2 (0.56) CHRM2CHRM1CHRM3CHRM5CHRM4
SCHEMBL23744529 0.85 CHRM2 (0.52) CHRM2CHRM1CHRM3CHRM5CHRM4
SCHEMBL23744517 0.85 CHRM2 (0.52) CHRM2CHRM1CHRM3CHRM5CHRM4
SCHEMBL23744465 0.85 CHRM2 (0.51) CHRM2CHRM1CHRM3CHRM5CHRM4

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