SCHEMBL28830342

SCHEMBL28830342

NC(=O)O[C@@H]1CC(=O)N(c2cc(Cl)cc(C3CNCCO3)n2)C1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 2/20 0.35
▸ KCNH2 Q12809 2/20 0.35
▸ TAAR1 Q96RJ0 2/20 0.35

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
SCHEMBL28830298 0.84 SLC6A3 (0.36) SLC6A3KCNH2TAAR1
SCHEMBL28830326 0.78 SLC6A3 (0.35) SLC6A3KCNH2TAAR1
SCHEMBL28830343 0.77 SLC6A3 (0.36) SLC6A3KCNH2TAAR1
SCHEMBL28830338 0.75 MAPT (0.41) —
SCHEMBL28830320 0.71 SLC6A3 (0.35) SLC6A3KCNH2TAAR1
SCHEMBL28830299 0.65 SLC6A3 (0.36) SLC6A3KCNH2TAAR1
SCHEMBL28876536 0.64 HTR6 (0.36) —
SCHEMBL28834106 0.63 SLC6A3 (0.44) SLC6A3KCNH2TAAR1
SCHEMBL27455476 0.62 SLC6A3 (0.44) SLC6A3KCNH2TAAR1
SCHEMBL18398975 0.61 SLC6A3 (0.44) SLC6A3KCNH2TAAR1

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-114845711-A Inhibitors of RAF kinase 金耐特生物制药公司 2022-08-02 — — CN disclosed
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