SCHEMBL7680222

SCHEMBL7680222

COCC1=NN=C(c2cncc(-c3ccccc3)c2)[N]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.43
CYP11B2 P19099 5/20 0.43
MKNK1 Q9BUB5 2/20 0.40
MKNK2 Q9HBH9 2/20 0.40
MAPT P10636 1/20 0.37
CASP1 P29466 1/20 0.37
CHRNB2 P17787 2/20 0.36
CHRNB1 P11230 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNB3 Q05901 1/20 0.36
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
CHRNA7 P36544 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAP4K4 O95819 1/20 0.34
CHRNA4 P43681 1/20 0.34

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 0.82 CYP2A6 (0.44) CYP11B1CYP11B2MKNK1MKNK2MAPT
SCHEMBL7683130 0.76 LDHA (0.39) CYP11B1CYP11B2CYP3A4
SCHEMBL7680376 0.71 KDM4E (0.47) CYP11B1CYP11B2MAPTCYP1A2CYP3A4
SCHEMBL7673098 0.70 KMT2A (0.43) CYP11B1CYP11B2MAPTCYP1A2CYP3A4
SCHEMBL722248 0.70 ATM (0.62) CYP11B1CYP11B2MKNK1MKNK2CHRNB2
SCHEMBL21692173 0.70 ATM (0.62) CYP11B1CYP11B2MKNK1MKNK2CHRNB2
SCHEMBL7678740 0.70 CYP2A6 (0.40) CYP11B1CYP11B2MKNK1MKNK2MAPT
SCHEMBL7681273 0.69 NPC1 (0.51) MAPTCASP1PDGFRBPDGFRACYP1A2
SCHEMBL7682672 0.68 KDM4E (0.43) MAPTCYP1A2CYP3A4MAP4K4
SCHEMBL7683523 0.67 DPP4 (0.37) MAPTCYP1A2CYP3A4CYP2C19TP53

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