SCHEMBL28890488

SCHEMBL28890488

CCCC[C@H](CO)Nc1cc(Cl)nc2ccnn12

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KCNN3 Q9UGI6 14/20 0.54
▸ KCNN1 Q92952 2/20 0.48
▸ KCNN2 Q9H2S1 2/20 0.48
▸ PDE10A Q9Y233 2/20 0.45
▸ CRHR1 P34998 1/20 0.44
▸ TLR8 Q9NR97 3/20 0.39
▸ TLR7 Q9NYK1 2/20 0.39

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
SCHEMBL29236251 1.00 KCNN3 (0.54) KCNN3KCNN1KCNN2PDE10ACRHR1
SCHEMBL28890496 0.87 TLR8 (0.43) KCNN3CRHR1TLR8TLR7
SCHEMBL19526824 0.76 KCNN3 (0.66) KCNN3KCNN1KCNN2PDE10ACRHR1
SCHEMBL20220569 0.73 KCNN3 (0.56) KCNN3KCNN1KCNN2PDE10ACRHR1
SCHEMBL14158199 0.72 PDE10A (0.61) KCNN3KCNN1KCNN2PDE10A
SCHEMBL1934962 0.70 KCNN3 (0.58) KCNN3KCNN1KCNN2PDE10A
SCHEMBL13778075 0.68 KCNN3 (0.65) KCNN3KCNN1KCNN2PDE10ACRHR1
SCHEMBL5453937 0.66 KCNN3 (0.53) KCNN3KCNN1KCNN2PDE10A
SCHEMBL13117302 0.65 KCNN3 (0.80) KCNN3KCNN1KCNN2PDE10A
SCHEMBL10761854 0.65 SMN1; SMN2 (0.46) CRHR1TLR8TLR7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115362155-B Arylamine derivative, preparation method and medical application thereof 中国医药研究开发中心有限公司 2024-06-18 — — CN disclosed
CN-115362155-A Arylamine derivatives, and preparation method and medical application thereof 中国医药研究开发中心有限公司 2022-11-18 — — CN disclosed
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