SCHEMBL7673152

SCHEMBL7673152

COc1nc2cc(Cl)c(Cl)c(-n3cnnc3-c3cccnc3)c2nc1OC

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 8/20 0.38
CYP11B1 P15538 7/20 0.38
CYP19A1 P11511 3/20 0.38
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
NPC1 O15118 2/20 0.36
CYP17A1 P05093 3/20 0.36
CYP3A4 P08684 1/20 0.36
APLNR P35414 1/20 0.35
PDE10A Q9Y233 3/20 0.35
PDE2A O00408 2/20 0.35
PDE5A O76074 1/20 0.35
PDE4A P27815 1/20 0.35
PDE11A Q9HCR9 1/20 0.35
RAB9A P51151 1/20 0.34
ATM Q13315 1/20 0.34
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
SQOR Q9Y6N5 1/20 0.33

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
SCHEMBL27409634 0.88 PDE10A (0.37) CYP11B2CYP11B1ALDH1A1HPGDNPC1
SCHEMBL7681550 0.81 APLNR (0.41) CYP11B2CYP11B1CYP19A1ALDH1A1HPGD
SCHEMBL7682970 0.79 HRH4 (0.33)
SCHEMBL7678750 0.79 APLNR (0.39) CYP11B2CYP11B1CYP19A1ALDH1A1HPGD
SCHEMBL6678132 0.79 OXTR (0.41) CYP11B2CYP11B1CYP19A1ALDH1A1HPGD
SCHEMBL7682650 0.78 APLNR (0.38) CYP11B2CYP11B1CYP19A1ALDH1A1HPGD
SCHEMBL7673869 0.78 ALDH1A1 (0.43) ALDH1A1HPGDNPC1CYP3A4APLNR
SCHEMBL7682758 0.77 CYP11B2 (0.46) CYP11B2CYP11B1CYP19A1ALDH1A1HPGD
SCHEMBL7676180 0.76 ACHE (0.40) ALDH1A1HPGDNPC1CYP3A4APLNR
SCHEMBL7674184 0.74 SLC2A1 (0.37) ALDH1A1NPC1CYP3A4APLNRPDE10A

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