SCHEMBL23764646

SCHEMBL23764646

COC(OCOC(O)C(C)N1C(=O)C(=O)c2cc(OC(F)(F)F)ccc21)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 20/20 0.45

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
SCHEMBL23764711 0.88 CHRM5 (0.47) CHRM5
SCHEMBL23764650 0.86 PARK7 (0.41) CHRM5
SCHEMBL23764616 0.85 CHRM5 (0.44) CHRM5
SCHEMBL23764713 0.82 CHRM5 (0.53) CHRM5
SCHEMBL23764708 0.81 CHRM5 (0.46) CHRM5
SCHEMBL23764687 0.79 CHRM5 (0.52) CHRM5
SCHEMBL23764691 0.79 CHRM5 (0.41) CHRM5
SCHEMBL23764759 0.79 CHRM5 (0.45) CHRM5
SCHEMBL23764648 0.77 CHRM5 (0.46) CHRM5
SCHEMBL23764714 0.77 CHRM5 (0.46) CHRM5

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
WO-2021162650-A1 5-FLUORO/5-TRIFLUOROMETHOXY-1H-INDOLE-2,3-DIONE 3-(4-PHENYLTHIOSEMICARBAZONE) DERIVATIVES AS INTERLEUKIN 1 (IL-1) ANTAGONISTS AND ANTI-PYRETIC AND/OR ANTI-INFLAMMATORY AGENTS FOR USE IN TREATING E.G. BEHÇET'S DISEASE ISTANBUL UNIVERSITESI (TR) 2021-08-19 WO disclosed