SCHEMBL29432191

SCHEMBL29432191

C[C@@H]1CN(c2ccc(C(F)(F)F)nn2)C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 12/20 0.78
CHRM1 P11229 9/20 0.78
CHRM5 P08912 4/20 0.78
CHRM3 P20309 3/20 0.78
CHRM4 P08173 7/20 0.75

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
SCHEMBL18825805 1.00 CHRM2 (0.78) CHRM2CHRM1CHRM5CHRM3CHRM4
SCHEMBL18825846 0.89 CHRM4 (0.79) CHRM2CHRM1CHRM5CHRM3CHRM4
SCHEMBL29432367 0.89 CHRM4 (0.79) CHRM2CHRM1CHRM5CHRM3CHRM4
SCHEMBL18826009 0.88 CHRM4 (0.72) CHRM2CHRM1CHRM5CHRM3CHRM4
SCHEMBL23502079 0.87 CHRM2 (1.00) CHRM2CHRM1CHRM5CHRM3CHRM4
SCHEMBL29432109 0.87 CHRM2 (1.00) CHRM2CHRM1CHRM5CHRM3CHRM4
SCHEMBL18825792 0.87 CHRM4 (0.76) CHRM2CHRM1CHRM5CHRM3CHRM4
SCHEMBL29432032 0.87 CHRM4 (0.76) CHRM2CHRM1CHRM5CHRM3CHRM4
SCHEMBL23744384 0.87 CHRM2 (0.59) CHRM2CHRM1CHRM5CHRM3CHRM4
SCHEMBL18825992 0.86 CHRM4 (0.72) CHRM2CHRM1CHRM5CHRM3CHRM4

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
EP-3371164-B1 N-[2-(1-BENZYLPIPERIDIN-4-YL)ETHYL]-4-(PYRAZIN-2-YL)-PIPERAZINE-1-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS MUSCARINIC RECEPTOR 4 (M4) ANTAGONISTS FOR TREATING NEUROLOGICAL DISEASES NEUROCRINE BIOSCIENCES INC (US) 2022-03-16 EP disclosed