SCHEMBL30526900

SCHEMBL30526900

COc1cccc2c1ncc1c(=O)n([C@H]3CC[C@H](C(=O)OC(C)(C)C)CC3)c(=O)n(-c3cccc(Cl)c3)c12

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 19/20 0.71
▸ LITAF Q99732 19/20 0.71
▸ PDE4B Q07343 4/20 0.71
▸ PDE4D Q08499 4/20 0.71

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
SCHEMBL24164971 1.00 TNF (0.71) TNFLITAFPDE4BPDE4D
SCHEMBL29385390 1.00 TNF (0.71) TNFLITAFPDE4BPDE4D
SCHEMBL24164969 1.00 TNF (0.71) TNFLITAFPDE4BPDE4D
SCHEMBL26145969 0.90 TNF (0.88) TNFLITAFPDE4BPDE4D
SCHEMBL29514464 0.90 TNF (0.88) TNFLITAFPDE4BPDE4D
SCHEMBL26145950 0.90 TNF (0.88) TNFLITAFPDE4BPDE4D
SCHEMBL29381799 0.90 TNF (0.88) TNFLITAFPDE4BPDE4D
SCHEMBL24164518 0.90 TNF (0.88) TNFLITAFPDE4BPDE4D
SCHEMBL31355049 0.90 TNF (0.88) TNFLITAFPDE4BPDE4D
Hydrochloric Acid SCHEMBL29384439 0.89 TNF (0.86) TNFLITAFPDE4BPDE4D

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-116529247-A Crystal forms of hydrochloride of quinoline derivative 维特卫治疗有限责任公司 2023-08-01 — — CN disclosed
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