Sugi Predict

Sugi Predict / Compounds / SCHEMBL29432016

SCHEMBL29432016

SCHEMBL29432016

C[C@@H]1CN(c2ccc(C#N)cc2)C[C@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 10/20 1.00
▸ CHRM4 P08173 10/20 0.81
▸ CHRM1 P11229 4/20 0.76
▸ CHRM5 P08912 1/20 0.69
▸ CHRM3 P20309 1/20 0.69

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
SCHEMBL18826028 1.00 CHRM2 (1.00) CHRM2CHRM4CHRM1CHRM5CHRM3
SCHEMBL29432257 0.90 CHRM4 (1.00) CHRM2CHRM4CHRM1CHRM5
SCHEMBL18825898 0.88 CHRM4 (1.00) CHRM2CHRM4CHRM1CHRM5CHRM3
SCHEMBL18848315 0.88 CHRM4 (1.00) CHRM2CHRM4CHRM1CHRM5CHRM3
SCHEMBL25046266 0.87 CHRM2 (1.00) CHRM2CHRM4CHRM1CHRM5CHRM3
SCHEMBL29432210 0.87 CHRM2 (1.00) CHRM2CHRM4CHRM1CHRM5CHRM3
SCHEMBL29432374 0.87 CHRM2 (1.00) CHRM2CHRM4CHRM1CHRM5CHRM3
SCHEMBL18825902 0.87 CHRM2 (1.00) CHRM2CHRM4CHRM1CHRM5CHRM3
SCHEMBL23478444 0.87 CHRM4 (1.00) CHRM2CHRM4CHRM1CHRM5CHRM3
SCHEMBL23502265 0.87 CHRM4 (1.00) CHRM2CHRM4CHRM1CHRM5CHRM3

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