SCHEMBL648694

SCHEMBL648694

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.39
PARP1 P09874 2/20 0.36
MAPT P10636 3/20 0.35
RXFP1 Q9HBX9 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSPO P30536 1/20 0.35
PPARG P37231 2/20 0.35
PPARA Q07869 1/20 0.35
GNRHR P30968 1/20 0.34
ATP4A P20648 2/20 0.34
ATP4B P51164 2/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BCHE P06276 3/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
NR1H3 Q13133 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
SCHEMBL1913052 0.94 C5AR1 (0.37) C5AR1PARP1MAPTALDH1A1PPARG
SCHEMBL648900 0.90 C5AR1 (0.42) C5AR1MAPTPPARGPPARATP53
SCHEMBL1913054 0.90 C5AR1 (0.52) C5AR1MAPTALDH1A1PPARGPPARA
SCHEMBL648586 0.90 C5AR1 (0.39) C5AR1PARP1MAPTRXFP1TSPO
SCHEMBL648473 0.89 C5AR1 (0.37) C5AR1PARP1MAPTALDH1A1BCHE
SCHEMBL5633347 0.88 C5AR1 (0.40) C5AR1PARP1MAPTRXFP1TSPO
SCHEMBL651426 0.85 C5AR1 (0.38) C5AR1PARP1ALDH1A1PPARGSMN1; SMN2
SCHEMBL650278 0.84 C5AR1 (0.40) C5AR1PARP1TSPOPPARGLTB4R2
SCHEMBL648253 0.84 TSHR (0.41) C5AR1PARP1MAPTRXFP1TSPO
SCHEMBL651010 0.84 C5AR1 (0.45) C5AR1ALDH1A1PPARGPPARABCHE

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
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
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