SCHEMBL23744299

SCHEMBL23744299

C[C@@H]1CN(c2ncc(C(F)(F)F)cn2)C[C@@H](C)N1C(=O)NC1CCN(Cc2ccc(F)cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 10/20 0.65
CHRM1 P11229 7/20 0.65
CHRM4 P08173 10/20 0.58
CHRM3 P20309 3/20 0.55

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
SCHEMBL23744333 1.00 CHRM2 (0.65) CHRM2CHRM1CHRM4CHRM3
SCHEMBL23744230 0.95 CHRM2 (0.67) CHRM2CHRM1CHRM4CHRM3
SCHEMBL23744295 0.93 CHRM2 (0.65) CHRM2CHRM1CHRM4CHRM3
SCHEMBL23744233 0.93 CHRM2 (0.65) CHRM2CHRM1CHRM4CHRM3
SCHEMBL23744285 0.93 CHRM2 (0.65) CHRM2CHRM1CHRM4CHRM3
SCHEMBL23744294 0.93 CHRM2 (0.65) CHRM2CHRM1CHRM4CHRM3
SCHEMBL23744585 0.92 CHRM2 (0.77) CHRM2CHRM1CHRM4CHRM3
SCHEMBL23744640 0.92 CHRM2 (0.77) CHRM2CHRM1CHRM4CHRM3
SCHEMBL23744289 0.91 CHRM2 (0.65) CHRM2CHRM1CHRM4CHRM3
SCHEMBL23744239 0.91 CHRM2 (0.60) CHRM2CHRM1CHRM4CHRM3

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