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Sugi Predict / Compounds / SCHEMBL29432151

SCHEMBL29432151

SCHEMBL29432151

O=C(NCCC1CCN(Cc2ccccc2)CC1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 15/20 1.00
▸ CHRM2 P08172 4/20 0.78
▸ CHRM1 P11229 4/20 0.78
▸ CHRM5 P08912 2/20 0.77
▸ CHRM3 P20309 2/20 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
SCHEMBL29432238 0.89 CHRM4 (1.00) CHRM4CHRM2
SCHEMBL29432226 0.88 CHRM2 (1.00) CHRM4CHRM2CHRM1CHRM5CHRM3
SCHEMBL29432002 0.87 CHRM2 (1.00) CHRM4CHRM2CHRM1CHRM5CHRM3
SCHEMBL18825936 0.87 CHRM4 (1.00) CHRM4CHRM2CHRM1
SCHEMBL29432235 0.87 CHRM4 (1.00) CHRM4CHRM2CHRM1
SCHEMBL29432441 0.87 CHRM4 (1.00) CHRM4CHRM2CHRM1CHRM5CHRM3
SCHEMBL18826047 0.86 CHRM2 (1.00) CHRM4CHRM2
SCHEMBL18825842 0.85 CHRM5 (1.00) CHRM4CHRM2CHRM1CHRM5CHRM3
SCHEMBL29432328 0.85 CHRM4 (1.00) CHRM4CHRM2CHRM1CHRM5
SCHEMBL29432304 0.85 CHRM4 (1.00) CHRM4CHRM2CHRM1

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