SCHEMBL474225

SCHEMBL474225

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

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 9/20 0.62
PDE7B Q9NP56 4/20 0.54
PDE8A O60658 2/20 0.54
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41
TSHR P16473 3/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 3/20 0.38
RXFP1 Q9HBX9 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 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
SCHEMBL136390 0.90 PDE7A (0.59) PDE7APDE7BPDE8AACHEBACE1
SCHEMBL585427 0.90 PDE7A (0.76) PDE7APDE7BPDE8AACHEBACE1
SCHEMBL474204 0.85 PDE7A (0.59) PDE7APDE7BPDE8ATSHRALDH1A1
SCHEMBL100671 0.84 PDE7A (0.77) PDE7APDE7BPDE8AACHEBACE1
SCHEMBL14775916 0.84 PDE7A (0.60) PDE7APDE7BPDE8ATSHRALDH1A1
SCHEMBL100025 0.82 PDE7A (0.56) PDE7APDE7BPDE8ATSHRHTT
SCHEMBL135655 0.81 PDE7A (0.80) PDE7APDE7BPDE8AACHEBACE1
SCHEMBL17416721 0.81 PDE7A (0.74) PDE7APDE7BPDE8AACHEBACE1
SCHEMBL138251 0.81 PDE7A (0.70) PDE7APDE7BPDE8AACHEBACE1
SCHEMBL134836 0.80 PDE7A (0.73) PDE7APDE7BPDE8ATSHRHTT

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
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
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