SCHEMBL31047836

SCHEMBL31047836

CC[C@@H](CO)Nc1ccc(C(=O)N2CCC(N3CCc4ccccc4C3)CC2)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 19/20 1.00
▸ 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
SCHEMBL16835558 1.00 ADRA1A (1.00) ADRA1AHPGD
SCHEMBL16855418 0.89 ADRA1A (0.81) ADRA1A
SCHEMBL23851403 0.86 ADRA1A (0.75) ADRA1A
SCHEMBL16854327 0.80 ADRA1A (1.00) ADRA1A
SCHEMBL18145306 0.80 ADRA1A (1.00) ADRA1A
SCHEMBL31047818 0.80 ADRA1A (0.67) ADRA1A
SCHEMBL16855473 0.80 ADRA1A (0.67) ADRA1A
SCHEMBL31047819 0.80 ADRA1A (1.00) ADRA1AHPGD
SCHEMBL16846239 0.80 ADRA1A (1.00) ADRA1AHPGD
SCHEMBL16846303 0.77 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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