SCHEMBL23744503

SCHEMBL23744503

C[C@@H]1CN(c2ncc(C#N)cn2)[C@H](C)CN1C(=O)NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 10/20 0.59
CHRM2 P08172 6/20 0.57
CHRM1 P11229 2/20 0.51
CHRM3 P20309 2/20 0.51
CHRM5 P08912 1/20 0.51
PRKAA2 P54646 3/20 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
SCHEMBL23744500 1.00 CHRM4 (0.59) CHRM4CHRM2CHRM1CHRM3CHRM5
SCHEMBL23744502 1.00 CHRM4 (0.59) CHRM4CHRM2CHRM1CHRM3CHRM5
SCHEMBL23744110 1.00 CHRM4 (0.59) CHRM4CHRM2CHRM1CHRM3CHRM5
SCHEMBL23744282 0.92 CHRM4 (0.51) CHRM4CHRM2CHRM3PRKAA2
SCHEMBL23744160 0.91 CHRM2 (0.58) CHRM4CHRM2CHRM3PRKAA2
SCHEMBL23744244 0.88 CHRM4 (0.76) CHRM4CHRM2CHRM1CHRM3CHRM5
SCHEMBL23744499 0.88 CHRM4 (0.76) CHRM4CHRM2CHRM1CHRM3CHRM5
SCHEMBL23744106 0.88 CHRM4 (0.61) CHRM4CHRM2CHRM1CHRM3CHRM5
SCHEMBL23744107 0.88 CHRM4 (0.61) CHRM4CHRM2CHRM1CHRM3CHRM5
SCHEMBL26090313 0.87 CHRM4 (0.49) CHRM4CHRM2CHRM1CHRM3CHRM5

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