SCHEMBL5135533

SCHEMBL5135533

CCCCn1c(CN(Cc2ccc(OCC)cc2)Cc2cccc3ccccc23)cnc1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.44
PPARA Q07869 3/20 0.44
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPBWR1 P48145 1/20 0.36
TSHR P16473 2/20 0.36
MAPT P10636 2/20 0.35
C5AR1 P21730 1/20 0.35
HSD11B1 P28845 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL5134565 0.93 PPARG (0.42) PPARGPPARAGAAHPGDSMN1; SMN2
SCHEMBL5072389 0.92 TSHR (0.41) PPARGPPARAHPGDTSHRC5AR1
SCHEMBL5135801 0.91 PPARG (0.45) PPARGPPARAMEN1KMT2AGAA
SCHEMBL5072207 0.91 PPARG (0.39) PPARGPPARATSHRC5AR1HSD11B1
SCHEMBL5137298 0.91 PPARG (0.39) PPARGPPARANPBWR1TSHRMAPT
SCHEMBL5136818 0.91 PPARG (0.41) PPARGPPARAMEN1KMT2AGAA
SCHEMBL5135150 0.90 HSD11B1 (0.40) PPARGPPARATSHRC5AR1HSD11B1
SCHEMBL5137554 0.89 MAPT (0.38) PPARGPPARASMN1; SMN2TSHRMAPT
SCHEMBL14415595 0.89 HPGD (0.44) PPARGPPARAKMT2AHPGDSMN1; SMN2
SCHEMBL5136045 0.88 PPARG (0.37) PPARGPPARAMEN1KMT2AHPGD

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