SCHEMBL7565735

SCHEMBL7565735

Cc1c(Br)ccc2c1COC(=O)N2

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MB P02144 1/20 0.39
PDE3B Q13370 3/20 0.35
PDE3A Q14432 3/20 0.35
PGR P06401 3/20 0.34
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
MMP12 P39900 1/20 0.32
KCNJ1 P48048 2/20 0.31
NR3C1 P04150 1/20 0.30
AR P10275 1/20 0.30
KCNH2 Q12809 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
SCHEMBL31180367 0.80 HTR2A (0.37) PDE3BPDE3ACYP11B1CYP11B2
SCHEMBL25190883 0.80 CYP11B1 (0.34) PDE3BPDE3APGRCYP11B1CYP11B2
SCHEMBL4613940 0.76 CDK5 (0.40) MBCYP11B1CYP11B2
SCHEMBL21493526 0.74 MB (0.35) MBCYP11B1CYP11B2
SCHEMBL3524460 0.74 AHR (0.41) PDE3BPDE3AKCNH2
SCHEMBL436138 0.72 HTR5A (0.42) MBCYP11B1CYP11B2MMP12
SCHEMBL17442893 0.72 NPC1 (0.39) PDE3BPDE3AMMP12
SCHEMBL286899 0.70 KCNJ1 (0.60) KCNJ1KCNH2
SCHEMBL30445186 0.70 KCNJ1 (0.60) KCNJ1KCNH2
SCHEMBL8197651 0.70 MMP12 (0.45) PDE3BPDE3APGRCYP11B1CYP11B2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0830348-B1 CYCLIC AMINE DERIVATIVES OF SUBSTITUTED QUINOXALINE 2,3-DIONES AS GLUTAMATE RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 2002-09-04 EP disclosed
US-6268366-B1 Amide derivatives of substituted quinoxaline 2,3-diones as glutamate receptor antagonists WARNER-LAMBERT COMPANY 2001-07-31 US disclosed
US-6191134-B1 STROKE THERAPY, ANTIISCHEMIC AGENTS, BRAIN DISORDERS WARNER-LAMBERT COMPANY 2001-02-20 US disclosed
US-6172065-B1 CENTRAL NERVOUS SYSTEM DISORDERS WARNER-LAMBERT COMPANY 2001-01-09 US disclosed
US-6110911-A ADMINISTERING NEUROPROTECTANT/ANTICONVULSANT TO PATIENT WARNER-LAMBERT COMPANY (US) 2000-08-29 US disclosed
US-6096744-A ANTICONVULSANTS WARNER-LAMBERT COMPANY (US) 2000-08-01 US disclosed
WO-1998023599-A1 UREA AND THIOUREA DERIVATIVES OF SUBSTITUTED QUINOXALINE 2,3-DIONES AS GLUTAMATE RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-06-04 WO disclosed