SCHEMBL23744118

SCHEMBL23744118

C[C@@H]1CN(c2cncc(C(F)(F)F)n2)C[C@@H](C)N1C(=O)NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 11/20 0.59
CHRM1 P11229 8/20 0.59
CHRM3 P20309 3/20 0.59
CHRM5 P08912 3/20 0.59
CHRM4 P08173 7/20 0.53
SIGMAR1 Q99720 1/20 0.47

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
SCHEMBL23744037 1.00 CHRM2 (0.59) CHRM2CHRM1CHRM3CHRM5CHRM4
SCHEMBL26089631 0.87 CHRM2 (0.49) CHRM2CHRM1CHRM3CHRM5CHRM4
SCHEMBL30345554 0.87 CHRM2 (0.49) CHRM2CHRM1CHRM3CHRM5CHRM4
SCHEMBL30345698 0.87 CHRM2 (0.49) CHRM2CHRM1CHRM3CHRM5CHRM4
SCHEMBL26089814 0.87 CHRM2 (0.49) CHRM2CHRM1CHRM3CHRM5CHRM4
SCHEMBL23744073 0.87 CHRM2 (0.77) CHRM2CHRM1CHRM3CHRM5CHRM4
SCHEMBL23744072 0.87 CHRM2 (0.77) CHRM2CHRM1CHRM3CHRM5CHRM4
SCHEMBL23744384 0.86 CHRM2 (0.59) CHRM2CHRM1CHRM3CHRM5CHRM4
SCHEMBL23744482 0.84 CHRM2 (0.53) CHRM2CHRM1CHRM3CHRM5CHRM4
SCHEMBL23744481 0.84 CHRM2 (0.53) 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