SCHEMBL585427

SCHEMBL585427

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

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 10/20 0.76
PDE7B Q9NP56 5/20 0.57
PDE8A O60658 3/20 0.57
ACHE P22303 1/20 0.44
BACE1 P56817 1/20 0.44
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
TP53 P04637 3/20 0.41
RXFP1 Q9HBX9 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRL1 P41146 1/20 0.39

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
SCHEMBL100671 0.94 PDE7A (0.77) PDE7APDE7BPDE8AACHEBACE1
SCHEMBL135655 0.91 PDE7A (0.80) PDE7APDE7BPDE8AACHEBACE1
SCHEMBL17416721 0.91 PDE7A (0.74) PDE7APDE7BPDE8AACHEBACE1
SCHEMBL474225 0.90 PDE7A (0.62) PDE7APDE7BPDE8AACHEBACE1
SCHEMBL99906 0.89 PDE7A (0.91) PDE7APDE7BPDE8AACHEBACE1
SCHEMBL30837805 0.89 PDE7A (0.91) PDE7APDE7BPDE8AACHEBACE1
SCHEMBL132935 0.89 PDE7A (0.70) PDE7APDE7BPDE8AACHEBACE1
SCHEMBL136217 0.89 PDE7A (0.77) PDE7APDE7BPDE8AACHEBACE1
SCHEMBL2683480 0.88 PDE7A (0.73) PDE7APDE7BPDE8ALMNATSHR
SCHEMBL134836 0.88 PDE7A (0.73) PDE7APDE7BPDE8ALMNATSHR

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 8 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
WO-2010116090-A1 THERAPEUTIC APPLICATIONS IN THE CARDIOVASCULAR FIELD OF QUINAZOLINEDIONE DERIVATIVES SANOFI-AVENTIS (FR) 2010-10-14 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