Sugi Predict

Sugi Predict / Compounds / SCHEMBL29432002

SCHEMBL29432002

SCHEMBL29432002

C[C@H]1CN(c2ccc(C(F)(F)F)cn2)CCC1C(=O)NCCC1CCN(Cc2ccccc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 11/20 1.00
▸ CHRM1 P11229 10/20 1.00
▸ CHRM5 P08912 5/20 1.00
▸ CHRM3 P20309 5/20 1.00
▸ CHRM4 P08173 8/20 0.77

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
SCHEMBL29432153 0.91 CHRM2 (1.00) CHRM2CHRM1CHRM5CHRM3CHRM4
SCHEMBL29432369 0.87 CHRM1 (1.00) CHRM2CHRM1CHRM5CHRM3CHRM4
SCHEMBL29432151 0.87 CHRM4 (1.00) CHRM2CHRM1CHRM5CHRM3CHRM4
SCHEMBL29432185 0.86 CHRM2 (1.00) CHRM2CHRM1CHRM5CHRM3CHRM4
SCHEMBL18825749 0.85 CHRM2 (1.00) CHRM2CHRM1CHRM5CHRM3CHRM4
SCHEMBL29432228 0.85 CHRM2 (1.00) CHRM2CHRM1CHRM5CHRM3CHRM4
SCHEMBL29432170 0.83 CHRM2 (1.00) CHRM2CHRM1CHRM5CHRM3CHRM4
SCHEMBL29432226 0.82 CHRM2 (1.00) CHRM2CHRM1CHRM5CHRM3CHRM4
SCHEMBL23502234 0.80 CHRM4 (1.00) CHRM2CHRM1CHRM5CHRM3CHRM4
SCHEMBL20556124 0.80 CHRM4 (1.00) 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