SCHEMBL31047821

SCHEMBL31047821

COCCNc1ncc(C(=O)N2CCC(N3CCc4ccccc4C3)CC2)cn1

nearest known ligand 0.80

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 15/20 0.80
▸ MAPK1 P28482 1/20 0.43
▸ VNN1 O95497 1/20 0.43
▸ HPGD P15428 1/20 0.42

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
SCHEMBL16855302 1.00 ADRA1A (0.80) ADRA1AMAPK1VNN1HPGD
SCHEMBL31047819 0.89 ADRA1A (1.00) ADRA1AHPGD
SCHEMBL16846239 0.89 ADRA1A (1.00) ADRA1AHPGD
SCHEMBL31047818 0.84 ADRA1A (0.67) ADRA1A
SCHEMBL16855473 0.84 ADRA1A (0.67) ADRA1A
SCHEMBL16855418 0.79 ADRA1A (0.81) ADRA1A
SCHEMBL16846304 0.78 ADRA1A (1.00) ADRA1A
SCHEMBL31047828 0.78 ADRA1A (1.00) ADRA1A
SCHEMBL22345185 0.76 ADRA1A (0.60) ADRA1A
SCHEMBL23852178 0.75 ADRA1A (0.55) ADRA1A

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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