SCHEMBL7529844

SCHEMBL7529844

C=CCN(CC=C)Cc1c(C)ccc(N)c1N

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 2/20 0.33
PYCR1 P32322 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
APAF1 O14727 1/20 0.32
NSD2 O96028 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
CRHR1 P34998 2/20 0.31
CD44 P16070 1/20 0.31

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
SCHEMBL7959943 0.69 ALDH1A1 (0.50) KDM4EMAPTALDH1A1PYCR1LMNA
SCHEMBL982159 0.68 NOS2 (0.47) KDM4EMAPTALDH1A1GAACD44
SCHEMBL4976094 0.67 IMPDH2 (0.45) MAPTALDH1A1
SCHEMBL7521972 0.67 KDM4E (0.53) KDM4EMAPTL3MBTL1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL7256311 0.66 NOS2 (0.45) KDM4EALDH1A1GAACD44
SCHEMBL28208071 0.66 CD44 (0.39) KDM4EMAPTALDH1A1CD44
SCHEMBL10974173 0.66 ALDH1A1 (0.49) KDM4EALDH1A1PYCR1LMNAHTT
SCHEMBL11526249 0.66 MAPT (0.50) KDM4EMAPTL3MBTL1ALDH1A1PYCR1
SCHEMBL11526241 0.63 PYCR1 (0.52) KDM4EMAPTL3MBTL1ALDH1A1PYCR1
SCHEMBL22249743 0.63 PRKCI (0.41) MAPTALDH1A1PYCR1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0837854-B1 ALKYL AMINE DERIVATIVES OF SUBSTITUTED QUINOXALINE 2,3-DIONES AS GLUTAMATE RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 2002-12-11 EP disclosed
EP-0830348-B1 CYCLIC AMINE DERIVATIVES OF SUBSTITUTED QUINOXALINE 2,3-DIONES AS GLUTAMATE RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 2002-09-04 EP disclosed
US-6110911-A ADMINISTERING NEUROPROTECTANT/ANTICONVULSANT TO PATIENT WARNER-LAMBERT COMPANY (US) 2000-08-29 US disclosed
US-5874426-A USEFUL IN THE TREATMENT OF STROKE, CEREBRAL ISCHEMIA, OR CEREBRAL INFARCTION RESULTING FROM THROMBOEMBOLIC OR HEMORRHAGIC STROKE, CEREBRAL VASOSPASMS, HYPOGLYCEMIA, CARDIAC ARREST, STATUS EPILEPTICUS, ANOXIA, SEIZURE DISORDER WARNER-LAMBERT COMPANY (US) 1999-02-23 US disclosed
EP-0837854-A1 ALKYL AMINE DERIVATIVES OF SUBSTITUTED QUINOXALINE 2,3-DIONES AS GLUTAMATE RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-04-29 EP disclosed
EP-0830348-A1 CYCLIC AMINE DERIVATIVES OF SUBSTITUTED QUINOXALINE 2,3-DIONES AS GLUTAMATE RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-03-25 EP disclosed
US-5654303-A FOR TREATING NERVOUS SYSTEM OR CARDIOVASCULAR SYSTEM DISORDERS WARNER-LAMBERT COMPANY (US) 1997-08-05 US disclosed
WO-1996040650-A1 CYCLIC AMINE DERIVATIVES OF SUBSTITUTED QUINOXALINE 2,3-DIONES AS GLUTAMATE RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1996-12-19 WO disclosed
WO-1996040651-A1 ALKYL AMINE DERIVATIVES OF SUBSTITUTED QUINOXALINE 2,3-DIONES AS GLUTAMATE RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1996-12-19 WO disclosed