SCHEMBL31047833

SCHEMBL31047833

CCC(COC)Nc1ncc(C(=O)N2CCC(N3CCc4ccc(OC)cc4C3)CC2)cn1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 15/20 0.54
▸ HRH3 Q9Y5N1 5/20 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
SCHEMBL16855417 1.00 ADRA1A (0.54) ADRA1AHRH3
SCHEMBL18186145 0.97 ADRA1A (0.57) ADRA1AHRH3
SCHEMBL16855368 0.91 ADRA1A (0.65) ADRA1A
SCHEMBL31047863 0.91 ADRA1A (0.65) ADRA1A
SCHEMBL31047818 0.89 ADRA1A (0.67) ADRA1A
SCHEMBL16855473 0.89 ADRA1A (0.67) ADRA1A
SCHEMBL23852178 0.87 ADRA1A (0.55) ADRA1AHRH3
SCHEMBL16855256 0.87 ADRA1A (0.61) ADRA1AHRH3
SCHEMBL16855418 0.80 ADRA1A (0.81) ADRA1A
SCHEMBL18186150 0.75 ADRA1A (0.52) ADRA1AHRH3

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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