SCHEMBL23744646

SCHEMBL23744646

C[C@@H]1CN(c2cnc(C(F)(F)F)cn2)[C@H](C)CN1C(=O)OC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 13/20 0.57
CHRM1 P11229 11/20 0.57
CHRM3 P20309 8/20 0.55
CHRM5 P08912 3/20 0.55
CHRM4 P08173 5/20 0.49

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
SCHEMBL23744476 1.00 CHRM2 (0.57) CHRM2CHRM1CHRM3CHRM5CHRM4
SCHEMBL26432031 0.93 CHRM2 (0.54) CHRM2CHRM1CHRM3CHRM5CHRM4
SCHEMBL23744685 0.93 CHRM2 (0.49) CHRM2CHRM1CHRM3CHRM5CHRM4
SCHEMBL23744475 0.92 CHRM2 (0.49) CHRM2CHRM1CHRM3CHRM5CHRM4
SCHEMBL23744792 0.92 CHRM2 (0.49) CHRM2CHRM1CHRM3CHRM5CHRM4
SCHEMBL23744136 0.90 CHRM2 (0.47) CHRM2CHRM1CHRM3CHRM5CHRM4
SCHEMBL23744318 0.90 CHRM2 (0.47) CHRM2CHRM1CHRM3CHRM5CHRM4
SCHEMBL23744652 0.90 CHRM4 (0.59) CHRM2CHRM1CHRM3CHRM5CHRM4
SCHEMBL23744465 0.88 CHRM2 (0.51) CHRM2CHRM1CHRM3CHRM5CHRM4
SCHEMBL23744468 0.88 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