SCHEMBL474204

SCHEMBL474204

COc1ccc(Cn2c(=O)c3cc(CN)ccc3n(C3CCN(C(=O)O)CC3)c2=O)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 10/20 0.59
PDE7B Q9NP56 5/20 0.58
PDE8A O60658 3/20 0.58
TSHR P16473 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
FEN1 P39748 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL100064 0.93 PDE7A (0.61) PDE7APDE7BPDE8ASIGMAR1CYP3A4
Hydrochloric Acid SCHEMBL141195 0.92 PDE7A (0.60) PDE7APDE7BPDE8ASIGMAR1CYP3A4
SCHEMBL14775916 0.90 PDE7A (0.60) PDE7APDE7BPDE8ATSHRSIGMAR1
SCHEMBL100688 0.89 PDE7A (0.56) PDE7APDE7BPDE8ATSHRNPC1
SCHEMBL585427 0.88 PDE7A (0.76) PDE7APDE7BPDE8ATSHRKDM4E
SCHEMBL173197 0.85 PDE7A (0.57) PDE7APDE7BPDE8ATSHRSIGMAR1
SCHEMBL582878 0.85 PDE7A (0.57) PDE7APDE7BPDE8ATSHRSIGMAR1
SCHEMBL3649285 0.85 PDE7A (0.67) PDE7APDE7BPDE8ATSHRNPC1
SCHEMBL474225 0.85 PDE7A (0.62) PDE7APDE7BPDE8ATSHRALDH1A1
Hydrochloric Acid SCHEMBL3752903 0.85 PDE7A (0.56) PDE7APDE7BPDE8ATSHRSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2205593-B1 QUINAZOLINEDIONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USES THEREOF SANOFI SA (FR) 2016-01-13 EP disclosed
EP-2416777-B1 THERAPEUTIC APPLICATIONS IN THE CARDIOVASCULAR FIELD OF QUINAZOLINEDIONE DERIVATIVES SANOFI SA (FR) 2014-11-12 EP disclosed
CN-102458409-B Therapeutic applications in the cardiovascular field of quinazolinedione derivatives SANOFI AVENTIS 2014-06-18 CN disclosed
EP-2411009-B1 Therapeutic uses of quinazolinedione derivatives SANOFI SA (FR) 2013-03-20 EP disclosed
EP-2416777-A1 THERAPEUTIC APPLICATIONS IN THE CARDIOVASCULAR FIELD OF QUINAZOLINEDIONE DERIVATIVES SANOFI (FR) 2012-02-15 EP disclosed
EP-2411009-A1 THERAPEUTIC USES OF QUINAZOLINEDIONE DERIVATIVES SANOFI (FR) 2012-02-01 EP disclosed
WO-2010116090-A1 THERAPEUTIC APPLICATIONS IN THE CARDIOVASCULAR FIELD OF QUINAZOLINEDIONE DERIVATIVES SANOFI-AVENTIS (FR) 2010-10-14 WO disclosed
WO-2010109148-A1 THERAPEUTIC USES OF QUINAZOLINEDIONE DERIVATIVES SANOFI-AVENTIS (FR) 2010-09-30 WO disclosed
EP-2205593-A1 QUINAZOLINEDIONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USES THEREOF Sanofi-Aventis (FR) 2010-07-14 EP disclosed
WO-2009077680-A1 QUINAZOLINEDIONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USES THEREOF SANOFI-AVENTIS (FR) 2009-06-25 WO disclosed