SCHEMBL7683018

SCHEMBL7683018

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
GLP1R P43220 1/20 0.35
CDC7 O00311 1/20 0.34
DBF4 Q9UBU7 1/20 0.34
MAPT P10636 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
GAA P10253 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
DYRK1A Q13627 4/20 0.34
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TP53 P04637 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
HPGD P15428 1/20 0.33
PDE2A O00408 1/20 0.32

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
SCHEMBL7682502 0.86 PDE2A (0.43) POLBMAPTNPSR1ALDH1A1MEN1
SCHEMBL27433674 0.86 MAPT (0.36) POLBCDC7DBF4MAPTNPSR1
SCHEMBL7678787 0.84 HPGD (0.34) POLBMAPTNPSR1DYRK1AALDH1A1
SCHEMBL7676180 0.83 ACHE (0.40) POLBMAPTNPSR1GAAALDH1A1
SCHEMBL7682046 0.82 POLB (0.37) POLBGLP1RMAPTNPSR1GAA
SCHEMBL7681996 0.79 TLR8 (0.36)
SCHEMBL7676202 0.78 PTGES (0.33) MEN1KMT2A
SCHEMBL7682619 0.78 TLR8 (0.38)
SCHEMBL27434412 0.74 PDE2A (0.44) POLBMAPTNPSR1ALDH1A1MEN1
SCHEMBL7674269 0.74 CGAS (0.36)

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