SCHEMBL23744122

SCHEMBL23744122

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

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 11/20 0.59
CHRM2 P08172 10/20 0.55
CHRM1 P11229 4/20 0.54
CHRM3 P20309 1/20 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
SCHEMBL30345587 0.87 CHRM4 (0.49) CHRM4CHRM2CHRM1CHRM3
SCHEMBL26086906 0.87 CHRM4 (0.49) CHRM4CHRM2CHRM1CHRM3
SCHEMBL23744074 0.87 CHRM4 (0.76) CHRM4CHRM2CHRM1CHRM3
SCHEMBL23744037 0.84 CHRM2 (0.59) CHRM4CHRM2CHRM1CHRM3
SCHEMBL23744118 0.84 CHRM2 (0.59) CHRM4CHRM2CHRM1CHRM3
SCHEMBL23744442 0.83 CHRM2 (0.76) CHRM4CHRM2CHRM1CHRM3
SCHEMBL23744544 0.82 HCAR2 (0.57) CHRM4CHRM2CHRM1CHRM3
SCHEMBL23744728 0.82 HCAR2 (0.57) CHRM4CHRM2CHRM1CHRM3
SCHEMBL26430622 0.82 CHRM4 (0.71) CHRM4CHRM2CHRM1CHRM3
SCHEMBL23744242 0.81 CHRM4 (0.75) CHRM4CHRM2CHRM1CHRM3

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