SCHEMBL31047863

SCHEMBL31047863

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

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 18/20 0.65
▸ NAMPT P43490 1/20 0.44
▸ C5AR1 P21730 1/20 0.38

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
SCHEMBL16855368 1.00 ADRA1A (0.65) ADRA1ANAMPTC5AR1
SCHEMBL16855256 0.97 ADRA1A (0.61) ADRA1ANAMPT
SCHEMBL16855417 0.91 ADRA1A (0.54) ADRA1A
SCHEMBL31047833 0.91 ADRA1A (0.54) ADRA1A
SCHEMBL16855473 0.89 ADRA1A (0.67) ADRA1ANAMPT
SCHEMBL31047818 0.89 ADRA1A (0.67) ADRA1ANAMPT
SCHEMBL18186145 0.87 ADRA1A (0.57) ADRA1A
SCHEMBL16855418 0.80 ADRA1A (0.81) ADRA1A
SCHEMBL31047828 0.79 ADRA1A (1.00) ADRA1A
SCHEMBL16846304 0.79 ADRA1A (1.00) 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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