SCHEMBL29432135

SCHEMBL29432135

O=C(NCCC1CCN(Cc2ccccc2)CC1)N1CCC(c2ccccc2F)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 18/20 1.00
▸ CHRM2 P08172 2/20 0.69
▸ CHRM5 P08912 1/20 0.69
▸ CHRM1 P11229 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
SCHEMBL18825862 1.00 CHRM4 (1.00) CHRM4CHRM2CHRM5CHRM1CHRM3
SCHEMBL18825966 0.86 CHRM4 (1.00) CHRM4CHRM2CHRM5CHRM1CHRM3
SCHEMBL18825718 0.86 CHRM4 (1.00) CHRM4CHRM2CHRM5CHRM1CHRM3
SCHEMBL29432089 0.85 CHRM4 (1.00) CHRM4CHRM2CHRM5CHRM1CHRM3
SCHEMBL18825977 0.84 CHRM4 (1.00) CHRM4CHRM2CHRM1
SCHEMBL29432236 0.84 CHRM4 (1.00) CHRM4CHRM2CHRM1
SCHEMBL29432244 0.83 CHRM4 (1.00) CHRM4CHRM2CHRM5CHRM1CHRM3
SCHEMBL18825784 0.83 CHRM4 (1.00) CHRM4CHRM2CHRM5CHRM1CHRM3
SCHEMBL29432167 0.82 CHRM4 (1.00) CHRM4CHRM2CHRM5CHRM1CHRM3
SCHEMBL20556012 0.82 CHRM2 (1.00) CHRM4CHRM2CHRM5CHRM1CHRM3

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
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