SCHEMBL9039191

SCHEMBL9039191

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

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 8/20 0.48
KDM1A O60341 2/20 0.47
MAOB P27338 1/20 0.47
EPHX2 P34913 1/20 0.41
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PYGL P06737 2/20 0.40
PYGM P11217 2/20 0.40
DRD2 P14416 2/20 0.39
CCKAR P32238 1/20 0.39
CCKBR P32239 1/20 0.39
BRD9 Q9H8M2 1/20 0.39
NPY1R P25929 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
SCHEMBL4799468 0.81 SCN9A (0.56) SCN9APYGLPYGM
SCHEMBL7423602 0.81 SCN9A (0.56) SCN9APYGLPYGM
SCHEMBL4799483 0.81 SCN9A (0.56) SCN9APYGLPYGM
SCHEMBL9040545 0.81 CCKBR (0.45) CCKBR
SCHEMBL24991617 0.76 RIPK1 (0.53) SCN9AKDM1AMAOBKMT2AL3MBTL1
SCHEMBL19880693 0.76 RIPK1 (0.53) SCN9AKDM1AMAOBKMT2AL3MBTL1
SCHEMBL19207938 0.76 RIPK1 (0.53) SCN9AKDM1AMAOBKMT2AL3MBTL1
SCHEMBL19224577 0.76 RIPK1 (0.53) SCN9AKDM1AMAOBKMT2AL3MBTL1
SCHEMBL19255505 0.76 RIPK1 (0.53) SCN9AKDM1AMAOBKMT2AL3MBTL1
SCHEMBL19228387 0.76 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