SCHEMBL7682502

SCHEMBL7682502

CCOC(=O)c1nnc(-c2ccccc2)n1-c1c(Cl)c(Cl)cc2nc(OC)c(OC)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 3/20 0.43
MAPT P10636 6/20 0.43
ALDH1A1 P00352 4/20 0.43
NPSR1 Q6W5P4 3/20 0.43
GABRA2 P47869 3/20 0.39
GABRB2 P47870 3/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP1A2 P05177 2/20 0.38
HTT P42858 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
PDE10A Q9Y233 1/20 0.37
CYP19A1 P11511 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL7676180 0.91 ACHE (0.40) PDE2AMAPTALDH1A1NPSR1LMNA
SCHEMBL27434412 0.89 PDE2A (0.44) PDE2AMAPTALDH1A1NPSR1GABRA2
SCHEMBL7677420 0.82 GLA (0.36) GABRA2
SCHEMBL27410461 0.80 ACHE (0.41) PDE2AMAPTALDH1A1NPSR1LMNA
SCHEMBL7682046 0.78 POLB (0.37) PDE2AMAPTALDH1A1NPSR1GABRA2
SCHEMBL27433674 0.75 MAPT (0.36) PDE2AMAPTALDH1A1NPSR1POLB
SCHEMBL7678787 0.73 HPGD (0.34) MAPTALDH1A1NPSR1LMNAPOLB
SCHEMBL7681550 0.72 APLNR (0.41) ALDH1A1HPGDMAPK1HTTCYP19A1
SCHEMBL6678132 0.72 OXTR (0.41) ALDH1A1HPGDMAPK1HTTCYP19A1
SCHEMBL27487153 0.69 GLA (0.37) MAPTALDH1A1NPSR1GABRA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6376490-B1 STRONG N-METHYL-D-ASPARATE RECEPTOR ANTAGONISTS; USEFUL IN TREATING STROKES, ISCHEMIA, AND CENTRAL NERVOUS SYSTEM INJURIES PFIZER INC 2002-04-23 US disclosed
EP-0885212-B1 QUINOXALINEDIONES PFIZER RES AND BR DEV COMPANY (IE) 2001-11-14 EP disclosed
EP-0885212-A1 QUINOXALINEDIONES Pfizer Research and Development Company, N.V./S.A. (IE) 1998-12-23 EP disclosed
WO-1997032873-A1 QUINOXALINEDIONES PFIZER RESEARCH AND DEVELOPMENT COMPANY, N.V./S.A. (IE) 1997-09-12 WO disclosed