SCHEMBL6974516

SCHEMBL6974516

COC(=O)CC(C[N+](=O)[O-])c1ccc(Cl)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP2C19 P33261 1/20 0.41
SLC6A3 Q01959 8/20 0.40
TNF P01375 2/20 0.40
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
KCNH2 Q12809 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL692174 0.86 LMNA (0.49) ALDH1A1LMNAHTTSMN1; SMN2SLC6A3
SCHEMBL10637253 0.85 ALDH1A1 (0.43) ALDH1A1LMNACYP2C19CYP3A4CYP2D6
SCHEMBL30947796 0.83 ALDH1A1 (0.41) ALDH1A1LMNASMN1; SMN2CYP2C19CYP3A4
SCHEMBL6478745 0.83 ALDH1A1 (0.41) ALDH1A1LMNASMN1; SMN2CYP2C19CYP3A4
SCHEMBL7682360 0.82 L3MBTL1 (0.42) ALDH1A1LMNASMN1; SMN2CYP2C19TNF
SCHEMBL6479354 0.82 MAPT (0.39) ALDH1A1HTTCYP2C19TNFCYP3A4
SCHEMBL8903093 0.81 GAA (0.46) ALDH1A1LMNAHTTSMN1; SMN2CYP2C19
SCHEMBL12268167 0.81 FNTA (0.47) ALDH1A1LMNAHTTSMN1; SMN2SLC6A3
SCHEMBL10642651 0.81 ALDH1A1 (0.43) ALDH1A1LMNAHTTSMN1; SMN2CYP2C19
SCHEMBL19190383 0.80 ALDH1A1 (0.50) ALDH1A1LMNAHTTCYP2C19CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0848706-B1 SUBSTITUTED BENZENE-FUSED HETEROCYCLICS AS NEUROKININ ANTAGONISTS SCHERING CORP (US) 2003-02-05 EP disclosed
EP-0848706-A1 SUBSTITUTED BENZENE-FUSED HETERO- AND CARBOCYCLICS AS NEUROKININ ANTAGONISTS SCHERING CORPORATION (US) 1998-06-24 EP disclosed
US-5691362-A ANTIHISTAMINES, BRONCHODILATORS, ANTIINFLAMMATORY AGENTS, GASTROINTESTINAL DISORDERS SCHERING-PLOUGH CORPORATION (US) 1997-11-25 US disclosed
WO-1996039383-A1 SUBSTITUTED BENZENE-FUSED HETERO- AND CARBOCYCLICS AS NEUROKININ ANTAGONISTS SCHERING CORPORATION (US) 1996-12-12 WO disclosed
EP-0164853-B1 (SUBSTITUTED-PHENYL)-5-OXO-2-PYRROLIDINEPROPANOIC ACIDS, A PROCESS FOR PRODUCING THE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUNDS WARNER-LAMBERT COMPANY (US) 1988-07-06 EP disclosed
EP-0164852-B1 1-(SUBSTITUTED-ARYL)-DIHYDRO-1H-PYRROLIZINE-3,5-(2H,6H-)DIONES, A PROCESS FOR PRODUCING THE COMPOUNDS AND A PHARMACEUTICAL COMPOSITION COMPRISING THE COMPOUNDS WARNER-LAMBERT COMPANY (US) 1988-07-06 EP disclosed
US-4584313-A TREATING SENILITY WARNER-LAMBERT COMPANY (US) 1986-04-22 US disclosed
EP-0164853-A1 (substituted-phenyl)-5-oxo-2-pyrrolidinepropanoic acids, a process for producing the compounds and pharmaceutical compositions comprising the compounds WARNER-LAMBERT COMPANY (US) 1985-12-18 EP disclosed
EP-0164852-A1 1-(Substituted-aryl)-Dihydro-1H-pyrrolizine-3,5-(2H,6H-)diones, a process for producing the compounds and a pharmaceutical composition comprising the compounds WARNER-LAMBERT COMPANY (US) 1985-12-18 EP disclosed
US-4548947-A 1-(Substituted-aryl)-dihydro-1H-pyrrolizine-3,5-[2H,6H-]diones and use for reversing amnesia WARNER-LAMBERT COMPANY (US) 1985-10-22 US disclosed