SCHEMBL7499764

SCHEMBL7499764

Cc1nc(-c2ccccc2)nc(OCC(=O)N(CC2CC2)c2ccccc2)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
KDM4E B2RXH2 5/20 0.40
GABRA1 P14867 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA5 P31644 2/20 0.39
GABRA3 P34903 2/20 0.39
GABRA2 P47869 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TP53 P04637 1/20 0.38
RAB9A P51151 1/20 0.38
HSD17B10 Q99714 1/20 0.38
POLQ O75417 2/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
CCR5 P51681 1/20 0.36
GHSR Q92847 1/20 0.36
PDE4B Q07343 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
SCHEMBL7496409 0.84 KDM4E (0.44) GAAKDM4EMEN1KMT2ATP53
SCHEMBL7508554 0.82 GAA (0.41) GAAKDM4EMEN1KMT2ATP53
SCHEMBL7500723 0.79 MEN1 (0.47) GAAKDM4EMEN1KMT2ATP53
SCHEMBL7506345 0.77 GAA (0.57) GAAKDM4EMEN1KMT2ATP53
SCHEMBL7498235 0.76 ALDH1A1 (0.48) GAAMEN1KMT2ATP53RAB9A
SCHEMBL7497628 0.76 GAA (0.45) GAAKDM4ETP53RAB9AHSD17B10
SCHEMBL7501749 0.75 SQOR (0.53) GAAKDM4ETP53RAB9AHSD17B10
SCHEMBL7497826 0.74 CYP1A2 (0.44) GAAKDM4EGABRA1GABRG2GABRB3
SCHEMBL7498438 0.74 MEN1 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7502299 0.71 KDM4E (0.62) GAAKDM4EMEN1KMT2ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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