SCHEMBL648358

SCHEMBL648358

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccccc1)Cc1ccc(OC(C)=O)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.45
TSHR P16473 2/20 0.37
PPARG P37231 3/20 0.37
PPARA Q07869 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CNR2 P34972 3/20 0.35
CNR1 P21554 2/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
AGTR1 P30556 1/20 0.34
TAS2R14 Q9NYV8 1/20 0.34
PDE4B Q07343 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL651010 0.94 C5AR1 (0.45) C5AR1TSHRPPARGPPARAALDH1A1
SCHEMBL650213 0.90 C5AR1 (0.41) C5AR1TSHRPPARGPPARAALDH1A1
SCHEMBL648990 0.90 C5AR1 (0.43) C5AR1TSHRPPARGPPARAALDH1A1
SCHEMBL5072450 0.88 C5AR1 (0.47) C5AR1TSHRPPARGPPARAALDH1A1
SCHEMBL651011 0.88 C5AR1 (0.47) C5AR1TSHRALDH1A1KDM4EHPGD
SCHEMBL648891 0.85 C5AR1 (0.44) C5AR1TSHRPPARGPPARAALDH1A1
SCHEMBL648508 0.85 C5AR1 (0.50) C5AR1TSHRALDH1A1KDM4EHPGD
SCHEMBL650367 0.84 C5AR1 (0.41) C5AR1TSHRPPARGPPARAALDH1A1
SCHEMBL651022 0.84 C5AR1 (0.45) C5AR1TSHRPPARGPPARAALDH1A1
SCHEMBL651343 0.84 C5AR1 (0.47) C5AR1TSHRALDH1A1BCHEACHE

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
US-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 US disclosed
US-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 US disclosed
US-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 US disclosed
EP-1490044-A4 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORP (US) 2008-04-16 EP disclosed
US-7186734-B2 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-03-06 US disclosed
US-7186734-B2 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-03-06 US disclosed
US-7186734-B2 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-03-06 US 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