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SCHEMBL10182050

SCHEMBL10182050

Cn1c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc2ccc(Oc3ccc(NC(=O)c4ccc(C(F)(F)F)cc4Cl)cn3)cc21

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 15/20 0.48
▸ SCN9A Q15858 5/20 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
SCHEMBL3061624 0.93 STAT3 (0.48) STAT3SCN9A
SCHEMBL3056483 0.93 STAT3 (0.48) STAT3SCN9A
SCHEMBL3057187 0.92 STAT3 (0.45) STAT3
SCHEMBL3050627 0.90 STAT3 (0.54) STAT3SCN9A
SCHEMBL3052292 0.90 STAT3 (0.47) STAT3SCN9A
SCHEMBL3056955 0.90 SCN9A (0.49) STAT3SCN9A
SCHEMBL3052293 0.86 STAT3 (0.46) STAT3SCN9A
SCHEMBL10181040 0.86 STAT3 (0.57) STAT3
Hydrochloric Acid SCHEMBL3063810 0.86 STAT3 (0.62) STAT3
SCHEMBL3702898 0.86 STAT3 (0.45) STAT3SCN9A

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
EP-2207773-B1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMA CO LTD (JP) 2012-07-11 — — EP disclosed