SCHEMBL649871

SCHEMBL649871

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

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.42
TLR7 Q9NYK1 8/20 0.40
HDAC1 Q13547 1/20 0.38
FAAH O00519 1/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
GRK6 P43250 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
PDE4B Q07343 1/20 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
SCHEMBL648057 0.93 KMT2A (0.40) C5AR1TLR7HDAC1PPARGPPARA
SCHEMBL1913014 0.90 C5AR1 (0.42) C5AR1TLR7HDAC1FAAHPPARG
SCHEMBL5135950 0.86 LPAR1 (0.42) C5AR1TLR7HDAC1PPARGPPARA
SCHEMBL5135893 0.86 TLR7 (0.49) C5AR1TLR7
SCHEMBL648900 0.85 C5AR1 (0.42) C5AR1TLR7HDAC1PPARGPPARA
SCHEMBL648838 0.84 C5AR1 (0.43) C5AR1HDAC1PPARGPPARAKDM4E
SCHEMBL649303 0.84 C5AR1 (0.45) C5AR1HDAC1FAAHPPARGPPARA
SCHEMBL650854 0.83 C5AR1 (0.39) C5AR1TLR7HDAC1FAAH
SCHEMBL5135455 0.82 TLR7 (0.40) C5AR1TLR7HDAC1KDM4EHPGD
SCHEMBL648586 0.82 C5AR1 (0.39) C5AR1PPARGPPARA

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