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SCHEMBL9040876

SCHEMBL9040876

CN1C(=O)C(NC(=O)OC(C)(C)C)C(c2ccccc2)=Cc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 12/20 0.44
▸ CCKBR P32239 6/20 0.43
▸ CCKAR P32238 3/20 0.43
▸ KMT2A Q03164 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ NFKB1 P19838 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38

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
SCHEMBL9040407 0.81 CCKBR (0.44) SCN9ACCKBRCCKAR
SCHEMBL28513980 0.78 PSEN1 (0.46) SCN9AKMT2AL3MBTL1
SCHEMBL19224503 0.74 NFKB1 (0.51) SCN9ACCKBRCCKARKMT2AL3MBTL1
SCHEMBL19207684 0.74 NFKB1 (0.51) SCN9ACCKBRCCKARKMT2AL3MBTL1
SCHEMBL9042321 0.74 CCKBR (0.58) CCKBR
SCHEMBL7808673 0.72 SCN9A (0.52) SCN9ACCKBRCCKARNFKB1NFKB2
SCHEMBL4413008 0.71 PSEN1 (0.52) SCN9ACCKBRCCKAR
SCHEMBL4705050 0.71 SCN9A (0.64) SCN9ACCKBRCCKARKMT2AL3MBTL1
SCHEMBL14019266 0.71 SCN9A (0.64) SCN9ACCKBRCCKARKMT2AL3MBTL1
SCHEMBL12345861 0.71 SCN9A (0.64) SCN9ACCKBRCCKARKMT2AL3MBTL1

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-0703222-A1 3-AMINOAZEPINE COMPOUND AND PHARMACEUTICAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1996-03-27 — — EP disclosed