SCHEMBL474324

SCHEMBL474324

COC(=O)c1cc(OCc2ccccc2)ccc1N(C(=O)OCC(C)C)C1CCN(C(=O)O)CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 10/20 0.41
YAP1 P46937 4/20 0.40
OPRM1 P35372 1/20 0.40
HTR2A P28223 1/20 0.39
MAPT P10636 2/20 0.39
UBE2M P61081 1/20 0.38
DCUN1D1 Q96GG9 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL14782114 0.92 CACNA1B (0.41) CACNA1BYAP1HTR2AMAPTUBE2M
SCHEMBL100670 0.91 YAP1 (0.51) CACNA1BYAP1MAPT
SCHEMBL173190 0.85 NPC1 (0.44) HTR2ALMNARAB9ASMN1; SMN2
SCHEMBL99961 0.83 YAP1 (0.49) CACNA1BYAP1
SCHEMBL136545 0.78 YAP1 (0.46) YAP1LMNARAB9A
SCHEMBL474228 0.76 CYP2D6 (0.37) OPRM1HTR2A
SCHEMBL474209 0.74 CACNA1B (0.45) CACNA1BYAP1MAPTGAA
SCHEMBL2609169 0.71 FAAH (0.39) MAPTLMNARAB9A
SCHEMBL2609162 0.70 FAAH (0.38) MAPTLMNARAB9A
SCHEMBL2609161 0.70 FAAH (0.40) MAPTLMNA

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 12 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-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
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
WO-2009077680-A1 QUINAZOLINEDIONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USES THEREOF SANOFI-AVENTIS (FR) 2009-06-25 WO disclosed