SCHEMBL5137399

SCHEMBL5137399

CCOC(=O)CCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc(C(=O)OC)cc1)Cc1ccc(N(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.43
FAAH O00519 4/20 0.42
SIRT2 Q8IXJ6 4/20 0.40
KDM4E B2RXH2 4/20 0.40
HPGD P15428 4/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 5/20 0.40
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SIRT1 Q96EB6 3/20 0.39
MAPT P10636 3/20 0.37
RAB9A P51151 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DRD2 P14416 1/20 0.37
TBXA2R P21731 1/20 0.37
CETP P11597 1/20 0.36

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
SCHEMBL5134492 0.91 GAA (0.44) GAAFAAHKDM4EHPGDMEN1
SCHEMBL5135490 0.91 SIRT2 (0.43) GAASIRT2KDM4EHPGDALDH1A1
SCHEMBL5137315 0.86 C5AR1 (0.51) GAAFAAHSIRT2KDM4EHPGD
SCHEMBL5138080 0.85 GAA (0.41) GAAFAAHKDM4EHPGDMEN1
SCHEMBL5137376 0.85 C5AR1 (0.42) GAAKDM4EMEN1KMT2AALDH1A1
SCHEMBL5136961 0.84 C5AR1 (0.53) GAAFAAHSIRT2KDM4EALDH1A1
SCHEMBL4770661 0.82 C5AR1 (0.42) GAASIRT2MEN1KMT2AALDH1A1
SCHEMBL5135950 0.81 LPAR1 (0.42) GAAKDM4EALDH1A1MAPTL3MBTL1
SCHEMBL5135457 0.79 TRPM8 (0.44) GAAKDM4EHPGDALDH1A1DRD2
SCHEMBL5135770 0.79 C5AR1 (0.46) GAAKDM4EHPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1490044-A4 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORP (US) 2008-04-16 EP disclosed
EP-1490044-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2004-12-29 EP disclosed
WO-2003084524-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2003-10-16 WO disclosed