SCHEMBL648586

SCHEMBL648586

CCCCN(Cc1ccc(C(N)=O)c(O)c1)Cc1c(-c2ccc(OC)cc2)nc(-c2ccccc2)n1CCCC

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.39
PDK1 Q15118 1/20 0.38
MAPT P10636 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
TSHR P16473 1/20 0.37
TSPO P30536 1/20 0.36
PPARG P37231 2/20 0.36
PPARA Q07869 1/20 0.36
PARP1 P09874 2/20 0.36
MAOB P27338 3/20 0.36
ATP4A P20648 2/20 0.36
ATP4B P51164 2/20 0.36
LTB4R2 Q9NPC1 1/20 0.35
BCHE P06276 3/20 0.35

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
SCHEMBL651426 0.95 C5AR1 (0.38) C5AR1PDK1TSHRPPARGPARP1
SCHEMBL650278 0.95 C5AR1 (0.40) C5AR1PDK1TSHRTSPOPPARG
SCHEMBL648253 0.95 TSHR (0.41) C5AR1PDK1MAPTRXFP1TSHR
SCHEMBL648838 0.94 C5AR1 (0.43) C5AR1PDK1TSHRPPARGPPARA
SCHEMBL648873 0.94 MC4R (0.37) C5AR1PDK1TSHRPPARGPARP1
SCHEMBL649230 0.92 C5AR1 (0.38) C5AR1PDK1TSHRPPARGPPARA
SCHEMBL5633347 0.90 C5AR1 (0.40) C5AR1MAPTRXFP1TSPOPPARG
SCHEMBL648694 0.90 C5AR1 (0.39) C5AR1MAPTRXFP1TSPOPPARG
SCHEMBL648105 0.89 C5AR1 (0.38) C5AR1PDK1MAPTTSHRPARP1
SCHEMBL648963 0.89 C5AR1 (0.54) C5AR1MAPTPPARGPPARA

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