SCHEMBL7497628

SCHEMBL7497628

CCCN(CCC)C(=O)COc1nc(-c2ccccc2)nc(C)c1C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
RAB9A P51151 2/20 0.44
KDM4E B2RXH2 2/20 0.44
TP53 P04637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NPC1 O15118 2/20 0.43
TSPO P30536 1/20 0.43
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RXRA P19793 1/20 0.40

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
SCHEMBL7507122 0.88 KCNH2 (0.48) GAARAB9AKDM4ETP53HSD17B10
SCHEMBL7506752 0.88 GAA (0.44) GAARAB9AKDM4ETP53HSD17B10
SCHEMBL7496409 0.87 KDM4E (0.44) GAARAB9AKDM4ETP53HSD17B10
SCHEMBL7501749 0.83 SQOR (0.53) GAARAB9AKDM4ETP53HSD17B10
SCHEMBL7506345 0.82 GAA (0.57) GAARAB9AKDM4ETP53HSD17B10
SCHEMBL7500942 0.79 RXRA (0.50) NPC1ALDH1A1L3MBTL1CYP1A2CYP2C9
SCHEMBL7497826 0.77 CYP1A2 (0.44) GAARAB9AKDM4ETP53HSD17B10
SCHEMBL7508554 0.77 GAA (0.41) GAARAB9AKDM4ETP53HSD17B10
SCHEMBL7506815 0.76 ALDH1A1 (0.42) RAB9AKDM4ETP53HSD17B10ALDH1A1
SCHEMBL7499394 0.76 PDE4B (0.50) GAARAB9AKDM4ETP53HSD17B10

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
EP-0826673-B1 ACETAMIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL COMPOSITION CONTAINING THE SAME DAINIPPON PHARMACEUTICAL CO (JP) 2002-11-20 EP claimed
US-5972946-A NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1999-10-26 US claimed
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 claimed
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