SCHEMBL7500942

SCHEMBL7500942

CCCN(CCC)C(=O)COc1cc(C)nc(-c2ccccc2)n1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPT P10636 2/20 0.48
ATM Q13315 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
MAPK1 P28482 1/20 0.48
CYP2C19 P33261 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NPC1 O15118 1/20 0.45
GBA1 P04062 1/20 0.45
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL2577341 0.79 MEN1 (0.54) MEN1KMT2AMAPTATMCYP1A2
SCHEMBL7497628 0.79 GAA (0.45) RXRACYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL7506752 0.77 GAA (0.44) CYP1A2CYP2C9CYP2C19L3MBTL1NPC1
SCHEMBL7507122 0.77 KCNH2 (0.48) RXRAMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL7505001 0.76 MEN1 (0.53) RXRAMEN1KMT2ACYP1A2NPC1
SCHEMBL13603916 0.76 MEN1 (0.54) MEN1KMT2AMAPTATMCYP1A2
SCHEMBL9013611 0.74 MAPT (0.54) MEN1KMT2AMAPTATMCYP1A2
Propane SCHEMBL10850974 0.73 MEN1 (0.52) MEN1KMT2AMAPTATMCYP1A2
Hydrochloric Acid SCHEMBL9013362 0.73 MAPT (0.52) MEN1KMT2AMAPTATMCYP1A2
Hydrochloric Acid SCHEMBL9013331 0.72 HTR6 (0.60) MEN1KMT2AMAPTATMCYP1A2

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