SCHEMBL651087

SCHEMBL651087

CCCCn1c(-c2ccccc2C)nc(-c2ccc(C)cc2)c1CN(Cc1ccc(C(=O)O)cc1)CC1CC2C=CC1C2

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 4/20 0.34
LTA4H P09960 1/20 0.33
AGTR1 P30556 2/20 0.32
AGTR2 P50052 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
PPARG P37231 1/20 0.32
PTGES O14684 1/20 0.31
ALOX5 P09917 1/20 0.31

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
SCHEMBL652930 0.92 KMT2A (0.34) LTB4R2AGTR1
SCHEMBL652625 0.86 LTB4R2 (0.41) LTB4R2AGTR1AGTR2ADORA3ADORA2B
SCHEMBL651088 0.85 LTB4R2 (0.40) LTB4R2AGTR1PPARGPTGESALOX5
SCHEMBL651423 0.85 AGTR1 (0.42) LTB4R2LTA4HAGTR1AGTR2ADORA3
SCHEMBL648516 0.85 LTB4R2 (0.40) LTB4R2LTA4HAGTR1AGTR2ADORA3
SCHEMBL651282 0.84 LTB4R2 (0.39) LTB4R2AGTR1AGTR2ADORA3ADORA2B
SCHEMBL648639 0.84 AGTR1 (0.40) LTB4R2LTA4HAGTR1AGTR2ADORA3
SCHEMBL653603 0.84 AGTR1 (0.40) LTB4R2LTA4HAGTR1AGTR2
SCHEMBL650060 0.83 LTB4R2 (0.38) LTB4R2LTA4HAGTR1AGTR2ADORA3
SCHEMBL650386 0.83 LTB4R2 (0.39) LTB4R2AGTR1AGTR2ADORA3ADORA2B

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