Sugi Predict

Sugi Predict / Compounds / SCHEMBL29432003

SCHEMBL29432003

SCHEMBL29432003

O=C(NCCC1CCN(Cc2ccccc2)CC1)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 8/20 1.00
▸ CHRM2 P08172 1/20 0.78
▸ CHRM1 P11229 1/20 0.78
▸ ACHE P22303 1/20 0.77
▸ DRD2 P14416 1/20 0.69
▸ DRD4 P21917 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
SCHEMBL29432419 0.90 CHRM4 (1.00) CHRM4CHRM2CHRM1ACHE
SCHEMBL29432097 0.89 CHRM4 (1.00) CHRM4CHRM2CHRM1ACHE
SCHEMBL18825863 0.88 CHRM2 (1.00) CHRM4CHRM2CHRM1ACHE
SCHEMBL12043770 0.88 ACHE (1.00) CHRM4ACHE
SCHEMBL29432288 0.86 CHRM4 (1.00) CHRM4CHRM2CHRM1ACHE
SCHEMBL29432443 0.85 CHRM4 (1.00) CHRM4CHRM2CHRM1ACHE
SCHEMBL18825844 0.85 CHRM4 (1.00) CHRM4CHRM2CHRM1ACHEDRD2
SCHEMBL29432406 0.84 CHRM4 (1.00) CHRM4CHRM2CHRM1ACHE
SCHEMBL3944672 0.83 CHRM4 (0.71) CHRM4CHRM2CHRM1ACHE
SCHEMBL18825866 0.82 CHRM4 (1.00) CHRM4CHRM2CHRM1ACHE

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