SCHEMBL10180491

SCHEMBL10180491

C[C@H]1CN(C(=O)c2cc3ccc(Oc4ccc(N(C)C(=O)c5ccc(OC(F)(F)F)cc5)cn4)cc3n2C)CCN1Cc1ccc(OC(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 18/20 0.47
SCN9A Q15858 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
MLNR O43193 1/20 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
SCHEMBL10180492 1.00 STAT3 (0.47) STAT3SCN9ASCN10AMLNR
SCHEMBL3060639 0.94 STAT3 (0.41) STAT3MLNR
SCHEMBL3045913 0.92 STAT3 (0.56) STAT3
SCHEMBL3045917 0.92 STAT3 (0.56) STAT3
SCHEMBL10180672 0.91 STAT3 (0.57) STAT3
Bromide SCHEMBL3056336 0.90 STAT3 (0.56) STAT3
Bromide SCHEMBL3060740 0.88 STAT3 (0.50) STAT3
Bromide SCHEMBL10181522 0.88 STAT3 (0.50) STAT3
SCHEMBL15295444 0.86 STAT3 (0.57) STAT3
Bromide SCHEMBL3059647 0.85 STAT3 (0.52) STAT3

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