SCHEMBL9040808

SCHEMBL9040808

CN1C(=O)C(NC(=O)OC(C)(C)C)C(c2ccccc2)C(Br)c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 8/20 0.39
CCKBR P32239 4/20 0.38
CCKAR P32238 3/20 0.38
KDM1A O60341 1/20 0.38
MAOB P27338 1/20 0.38
KMT2A Q03164 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
BRD9 Q9H8M2 1/20 0.36
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL9038735 0.82 CCKBR (0.46) CCKBRCCKARKMT2AMEN1SMN1; SMN2
SCHEMBL19880693 0.77 RIPK1 (0.53) SCN9AKDM1AMAOBKMT2AL3MBTL1
SCHEMBL19228382 0.77 RIPK1 (0.53) SCN9AKDM1AMAOBKMT2AL3MBTL1
SCHEMBL19228384 0.77 RIPK1 (0.53) SCN9AKDM1AMAOBKMT2AL3MBTL1
SCHEMBL19224577 0.77 RIPK1 (0.53) SCN9AKDM1AMAOBKMT2AL3MBTL1
SCHEMBL24991617 0.77 RIPK1 (0.53) SCN9AKDM1AMAOBKMT2AL3MBTL1
SCHEMBL19228387 0.77 RIPK1 (0.53) SCN9AKDM1AMAOBKMT2AL3MBTL1
SCHEMBL19255505 0.77 RIPK1 (0.53) SCN9AKDM1AMAOBKMT2AL3MBTL1
SCHEMBL19207938 0.77 RIPK1 (0.53) SCN9AKDM1AMAOBKMT2AL3MBTL1
SCHEMBL30890790 0.77 RIPK1 (0.53) SCN9AKDM1AMAOBKMT2AL3MBTL1

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