SCHEMBL650719

SCHEMBL650719

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc(OC)cc1)Cc1ccc(O)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.43
GAA P10253 3/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 5/20 0.36
TSHR P16473 3/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GNRHR P30968 3/20 0.35
BCHE P06276 3/20 0.35
CNR2 P34972 2/20 0.35
HSD17B10 Q99714 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL651024 0.93 C5AR1 (0.47) C5AR1KDM4ETSHRALDH1A1BCHE
SCHEMBL5136217 0.92 C5AR1 (0.45) C5AR1GAAMAPTKDM4ETSHR
SCHEMBL1915566 0.91 C5AR1 (0.45) C5AR1GAAKDM4ETSHRALDH1A1
SCHEMBL5170483 0.91 C5AR1 (0.45) C5AR1GAAMAPTKDM4ETSHR
SCHEMBL651365 0.89 C5AR1 (0.46) C5AR1GAAMAPTKDM4ETSHR
SCHEMBL650018 0.89 C5AR1 (0.46) C5AR1KDM4ETSHRALDH1A1BCHE
SCHEMBL5072205 0.88 C5AR1 (0.46) C5AR1GAAMAPTKDM4ETSHR
SCHEMBL5136898 0.88 C5AR1 (0.43) C5AR1GAAMAPTKDM4ETSHR
SCHEMBL5136200 0.88 C5AR1 (0.43) C5AR1GAAMAPTKDM4ETSHR
SCHEMBL5135647 0.88 C5AR1 (0.43) C5AR1GAAMAPTKDM4ETSHR

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 8 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
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