SCHEMBL7500313

SCHEMBL7500313

CN(C(=O)CN)c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 4/20 0.50
GABRP O00591 2/20 0.49
GABRD O14764 2/20 0.49
GABRA1 P14867 2/20 0.49
GABRB1 P18505 2/20 0.49
GABRG2 P18507 2/20 0.49
GABRB3 P28472 2/20 0.49
GABRA5 P31644 2/20 0.49
GABRA3 P34903 2/20 0.49
GABRA2 P47869 2/20 0.49
GABRB2 P47870 2/20 0.49
GABRA4 P48169 2/20 0.49
GABRE P78334 2/20 0.49
GABRA6 Q16445 2/20 0.49
GABRG1 Q8N1C3 2/20 0.49
GABRG3 Q99928 2/20 0.49
GABRQ Q9UN88 2/20 0.49
ALDH1A1 P00352 3/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47

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
Hydrochloric Acid SCHEMBL9868189 0.98 AOC3 (0.51) AOC3GABRPGABRDGABRA1GABRB1
SCHEMBL7092207 0.85 DRD4 (0.47) AOC3GABRPGABRDGABRA1GABRB1
SCHEMBL14853482 0.84 ALDH1A1 (0.50) ALDH1A1HTTRAB9ADRD4CHRNB2
SCHEMBL11383443 0.83 ALDH1A1 (0.46) ALDH1A1HTTRAB9ADRD4CHRNB2
SCHEMBL4107217 0.82 ALDH1A1 (0.46) AOC3ALDH1A1HTTRAB9AMEN1
SCHEMBL5351542 0.82 ALDH1A1 (0.58) ALDH1A1HTTRAB9ADRD4CHRNB2
SCHEMBL11343357 0.82 DRD4 (0.47) ALDH1A1HTTRAB9ADRD4CHRNB2
SCHEMBL9156475 0.82 DRD4 (0.48) AOC3GABRPGABRDGABRA1GABRB1
SCHEMBL7092205 0.81 ALDH1A1 (0.45) ALDH1A1HTTRAB9ADRD4CHRNB2
SCHEMBL7501648 0.81 GSK3B (0.47) ALDH1A1HTTRAB9ADRD4CHRNB2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1094929-C Acetamide derivative, process for preparing the same, and pharmaceutical composition containing the same DAINIPPON PHARMACEUTICAL CO (JP) 2002-11-27 CN disclosed
EP-0826673-B1 ACETAMIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL COMPOSITION CONTAINING THE SAME DAINIPPON PHARMACEUTICAL CO (JP) 2002-11-20 EP disclosed
US-5972946-A NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1999-10-26 US disclosed
CN-1186487-A Acetamide derivatives, process for producing the same, and medicinal composition containing the same DAINIPPON PHARMACEUTICAL CO (JP) 1998-07-01 CN disclosed
EP-0826673-A1 ACETAMIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL COMPOSITION CONTAINING THE SAME DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1998-03-04 EP disclosed
US-5026711-A Prevention and treatment of cardiovascular disorders and infections states; anxiolytic and anti-allergic agents SANOFI (FR) 1991-06-25 US disclosed