SCHEMBL8792572

SCHEMBL8792572

CCC(=O)N1N=C(c2ccc(N)cc2)c2cc3c(cc2CC1C)OCO3

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 3/20 0.75
GRIA1 P42261 1/20 0.75
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
CYP1A2 P05177 3/20 0.56
CYP3A4 P08684 3/20 0.56
CYP2D6 P10635 3/20 0.56
MAPT P10636 3/20 0.56
KDM4E B2RXH2 2/20 0.56
MAPK1 P28482 2/20 0.56
HSD17B10 Q99714 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
ALDH1A1 P00352 2/20 0.56
THRB P10828 1/20 0.56
TSHR P16473 1/20 0.56
CYP2C9 P11712 2/20 0.54
NFKB1 P19838 2/20 0.54
CYP2C19 P33261 2/20 0.54
HIF1A Q16665 2/20 0.54
LMNA P02545 2/20 0.54

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
SCHEMBL8794606 0.89 GRIA2 (0.78) GRIA2GRIA1MEN1KMT2ACYP1A2
Talampanel SCHEMBL118012 0.89 GRIA2 (0.80) GRIA2GRIA1MEN1KMT2ACYP1A2
Talampanel SCHEMBL30272868 0.89 GRIA2 (0.80) GRIA2GRIA1MEN1KMT2ACYP1A2
SCHEMBL118013 0.89 GRIA2 (0.80) GRIA2GRIA1MEN1KMT2ACYP1A2
Talampanel SCHEMBL118011 0.89 GRIA2 (0.80) GRIA2GRIA1MEN1KMT2ACYP1A2
SCHEMBL4168319 0.89 GRIA2 (0.62) GRIA2GRIA1MEN1KMT2ACYP1A2
SCHEMBL4168322 0.89 GRIA2 (0.62) GRIA2GRIA1MEN1KMT2ACYP1A2
SCHEMBL4177208 0.89 GRIA2 (0.62) GRIA2GRIA1MEN1KMT2ACYP1A2
SCHEMBL8792693 0.88 GRIA2 (0.75) GRIA2GRIA1MEN1KMT2ACYP1A2
Hydrochloric Acid SCHEMBL8795343 0.87 GRIA2 (0.68) GRIA2GRIA1MEN1KMT2ACYP1A2

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-0492485-B1 N-Acyl-2,3-benzodiazepine derivatives, pharmaceutical compositions containing them and process for preparing same GYOGYSZERKUTATO INTEZET (HU) 1997-11-19 EP claimed
US-5639751-A N-acyl-2,3-benzodiazepine derivatives for treating acute and chronic neurodegenerative disorders CYOGYSZERKUTATO INTEZET KFT (HU) 1997-06-17 US claimed
US-5604223-A TREATING EPILEPSY, NERVOUS SYSTEM DISORDER GYOGYSZERKUTATO INTEZET KFT. (HU) 1997-02-18 US claimed
US-5519019-A NERVOUS SYSTEM DISORDERS AND MUSCLE RELAXANTS GYOGYSZERKUTATO INTEZET (HU) 1996-05-21 US claimed
US-5459137-A Muscle relaxants, anticonvulsants, neuroprotective agents GYOGYSZERKU-TATO INTEZET KFT (HU) 1995-10-17 US claimed
EP-0492485-A1 N-Acyl-2,3-benzodiazepine derivatives, pharmaceutical compositions containing them and process for preparing same GYOGYSZERKUTATO INTEZET (HU) 1992-07-01 EP claimed