SCHEMBL595052

SCHEMBL595052

O=CN1CCC(n2c(=O)n(Cc3cc[c]cc3)c(=O)c3cc(OC(CF)CF)c(F)cc32)CC1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 10/20 0.60
PDE7B Q9NP56 5/20 0.60
PDE8A O60658 3/20 0.60
NPSR1 Q6W5P4 2/20 0.37
TSHR P16473 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
C5AR1 P21730 6/20 0.33
OPRM1 P35372 1/20 0.32
OPRL1 P41146 1/20 0.32
OPRD1 P41143 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL101013 0.93 PDE7A (0.62) PDE7APDE7BPDE8ANPSR1TSHR
SCHEMBL100501 0.91 PDE7A (0.62) PDE7APDE7BPDE8ANPSR1TSHR
SCHEMBL101203 0.91 PDE7A (0.62) PDE7APDE7BPDE8ANPSR1TSHR
SCHEMBL101016 0.90 PDE7A (0.61) PDE7APDE7BPDE8ANPSR1TSHR
SCHEMBL100547 0.89 PDE7A (0.64) PDE7APDE7BPDE8ANPSR1TSHR
SCHEMBL474826 0.88 PDE7A (0.63) PDE7APDE7BPDE8ANPSR1ALDH1A1
SCHEMBL101019 0.88 PDE7A (0.59) PDE7APDE7BPDE8ANPSR1TSHR
SCHEMBL101053 0.88 PDE7A (0.63) PDE7APDE7BPDE8ANPSR1TSHR
SCHEMBL100986 0.87 PDE7A (0.58) PDE7APDE7BPDE8ANPSR1TSHR
SCHEMBL101100 0.87 PDE7A (0.80) PDE7APDE7BPDE8ANPSR1TSHR

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 11 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 claimed
EP-2411009-B1 Therapeutic uses of quinazolinedione derivatives SANOFI SA (FR) 2013-03-20 EP claimed
EP-2416777-A1 THERAPEUTIC APPLICATIONS IN THE CARDIOVASCULAR FIELD OF QUINAZOLINEDIONE DERIVATIVES SANOFI (FR) 2012-02-15 EP claimed
WO-2010116090-A1 THERAPEUTIC APPLICATIONS IN THE CARDIOVASCULAR FIELD OF QUINAZOLINEDIONE DERIVATIVES SANOFI-AVENTIS (FR) 2010-10-14 WO claimed
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
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