SCHEMBL31047819

SCHEMBL31047819

COCCNc1ccc(C(=O)N2CCC(N3CCc4ccccc4C3)CC2)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 17/20 1.00
▸ HCAR3 P49019 1/20 0.48
▸ HPGD P15428 2/20 0.43

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
SCHEMBL16846239 1.00 ADRA1A (1.00) ADRA1AHCAR3HPGD
SCHEMBL16855302 0.89 ADRA1A (0.80) ADRA1AHPGD
SCHEMBL31047821 0.89 ADRA1A (0.80) ADRA1AHPGD
SCHEMBL31047828 0.89 ADRA1A (1.00) ADRA1AHCAR3
SCHEMBL16846304 0.89 ADRA1A (1.00) ADRA1AHCAR3
SCHEMBL16854291 0.80 ADRA1A (1.00) ADRA1A
SCHEMBL23851403 0.80 ADRA1A (0.75) ADRA1A
SCHEMBL16835558 0.80 ADRA1A (1.00) ADRA1AHPGD
SCHEMBL31047836 0.80 ADRA1A (1.00) ADRA1AHPGD
SCHEMBL16846303 0.78 ADRA1A (0.68) ADRA1AHPGD

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
CN-113166166-B Alpha 2-adrenoreceptor subtype C (alpha-2C) antagonists for the treatment of sleep apnea 拜耳公司 2024-09-10 — — CN disclosed
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