SCHEMBL7683130

SCHEMBL7683130

COCC1=NN=C(c2ccc(-c3ccccc3)nc2)[N]1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.39
HPGDS O60760 2/20 0.38
CYP11B1 P15538 8/20 0.38
CYP11B2 P19099 8/20 0.38
BAZ2B Q9UIF8 1/20 0.38
DGAT1 O75907 3/20 0.36
OXTR P30559 1/20 0.35
AVPR1A P37288 1/20 0.35
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL7673942 0.78 CYP2A6 (0.44) CYP11B1CYP11B2NPC1RAB9ACYP3A4
SCHEMBL7682672 0.78 KDM4E (0.43) CYP3A4
SCHEMBL7680222 0.76 CYP11B1 (0.43) CYP11B1CYP11B2CYP3A4
SCHEMBL7680376 0.70 KDM4E (0.47) CYP11B1CYP11B2RAB9ACYP3A4
SCHEMBL12973036 0.69 HPGDS (0.60) LDHAHPGDSCYP11B1CYP11B2BAZ2B
SCHEMBL7681273 0.68 NPC1 (0.51) NPC1RAB9ACYP3A4
SCHEMBL7683109 0.68 NPC1 (0.40) NPC1RAB9ACYP3A4
SCHEMBL25118611 0.67 HPGDS (0.58) LDHAHPGDSCYP11B1CYP11B2BAZ2B
SCHEMBL12523550 0.67 HPGDS (0.58) LDHAHPGDSCYP11B1CYP11B2BAZ2B
SCHEMBL913315 0.67 HPGDS (0.58) LDHAHPGDSCYP11B1CYP11B2BAZ2B

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
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
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