SCHEMBL648636

SCHEMBL648636

CCCCn1c(-c2ccccc2)nc(Cl)c1CN(Cc1ccc(C(=O)O)cc1)Cc1ccc2c(c1)OCCO2

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.51
PTGES O14684 2/20 0.45
ALOX5 P09917 2/20 0.45
LTA4H P09960 2/20 0.41
TSHR P16473 3/20 0.40
ALDH1A1 P00352 2/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.40
TAS2R14 Q9NYV8 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C8 P10632 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPK1 P28482 1/20 0.39
AGTR1 P30556 1/20 0.39
AGTR2 P50052 1/20 0.39
NR1H4 Q96RI1 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL648911 0.95 PTGES (0.46) C5AR1PTGESALOX5LTA4HTSHR
SCHEMBL1913084 0.94 C5AR1 (0.51) C5AR1PTGESALOX5TSHRALDH1A1
SCHEMBL651214 0.94 C5AR1 (0.50) C5AR1PTGESALOX5LTA4HTSHR
SCHEMBL647608 0.93 C5AR1 (0.48) C5AR1PTGESALOX5LTA4HALDH1A1
SCHEMBL1913102 0.93 C5AR1 (0.52) C5AR1PTGESALOX5LTA4HTSHR
SCHEMBL652376 0.92 C5AR1 (0.58) C5AR1TSHRALDH1A1PTGDR2CYP2C8
SCHEMBL651112 0.92 C5AR1 (0.49) C5AR1PTGESALOX5TSHRALDH1A1
SCHEMBL650916 0.92 C5AR1 (0.58) C5AR1PTGESALOX5LTA4HTSHR
SCHEMBL650147 0.92 C5AR1 (0.51) C5AR1PTGESALOX5TSHRALDH1A1
SCHEMBL650529 0.92 C5AR1 (0.47) C5AR1PTGESALOX5LTA4HTSHR

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