SCHEMBL7675159

SCHEMBL7675159

COCC1=NN=C(c2ccc(C)nc2)[N]1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.35
PDE10A Q9Y233 2/20 0.33
SLC22A12 Q96S37 1/20 0.32
GABRA1 P14867 4/20 0.32
GRM5 P41594 1/20 0.32
NPC1 O15118 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31
ABL1 P00519 1/20 0.31
BCR P11274 1/20 0.31
POLQ O75417 1/20 0.30
PIK3CD O00329 1/20 0.30
PIK3CA P42336 1/20 0.30
PIK3CB P42338 1/20 0.30
PI4KA P42356 1/20 0.30
PIK3CG P48736 1/20 0.30
PI4KB Q9UBF8 1/20 0.30

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
SCHEMBL7682672 0.80 KDM4E (0.43) PKM
SCHEMBL7683130 0.80 LDHA (0.39) HPGDSNPC1RAB9A
SCHEMBL7673942 0.79 CYP2A6 (0.44) NPC1RAB9A
SCHEMBL7679246 0.74 HPGDS (0.42) HPGDSPDE10ASLC22A12NPC1PKM
SCHEMBL7681273 0.72 NPC1 (0.51) NPC1RAB9A
SCHEMBL14884459 0.71 HPGDS (0.40) HPGDSPDE10AGRM5ABL1BCR
SCHEMBL7680222 0.69 CYP11B1 (0.43)
SCHEMBL7678740 0.67 CYP2A6 (0.40) NPC1RAB9A
SCHEMBL487301 0.66 TSHR (0.41) PDE10A
SCHEMBL676678 0.66 HPGDS (0.56) HPGDSPDE10ANPC1PKMRAB9A

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
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 claimed
EP-0885212-B1 QUINOXALINEDIONES PFIZER RES AND BR DEV COMPANY (IE) 2001-11-14 EP claimed
JP-3110467-B2 2000-11-20 JP claimed
EP-0885212-A1 QUINOXALINEDIONES Pfizer Research and Development Company, N.V./S.A. (IE) 1998-12-23 EP claimed
WO-1997032873-A1 QUINOXALINEDIONES PFIZER RESEARCH AND DEVELOPMENT COMPANY, N.V./S.A. (IE) 1997-09-12 WO claimed
EP-0885212-B1 QUINOXALINEDIONES PFIZER RES AND BR DEV COMPANY (IE) 2001-11-14 EP disclosed