SCHEMBL652625

SCHEMBL652625

CCCCn1c(-c2ccccc2C)nc(-c2ccc(C)cc2)c1CN(Cc1ccccc1)Cc1ccc(C(=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 5/20 0.41
ADORA3 P0DMS8 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40
TAS2R14 Q9NYV8 1/20 0.39
AGTR1 P30556 1/20 0.39
AGTR2 P50052 1/20 0.39
TSHR P16473 1/20 0.38
PTGES O14684 1/20 0.38
ALOX5 P09917 1/20 0.38
PIN1 Q13526 1/20 0.37
NR1H4 Q96RI1 1/20 0.37

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
SCHEMBL651577 0.95 ADORA3 (0.39) LTB4R2ADORA3ADORA2BADORA1AGTR1
SCHEMBL648516 0.95 LTB4R2 (0.40) LTB4R2ADORA3ADORA2BADORA1AGTR1
SCHEMBL651423 0.95 AGTR1 (0.42) LTB4R2ADORA3ADORA2BADORA1AGTR1
SCHEMBL648639 0.94 AGTR1 (0.40) LTB4R2ADORA3ADORA2BADORA1AGTR1
SCHEMBL653603 0.93 AGTR1 (0.40) LTB4R2AGTR1AGTR2
SCHEMBL651348 0.93 LTB4R2 (0.39) LTB4R2ADORA3ADORA2BADORA1AGTR1
SCHEMBL651282 0.93 LTB4R2 (0.39) LTB4R2ADORA3ADORA2BADORA1AGTR1
SCHEMBL650386 0.93 LTB4R2 (0.39) LTB4R2ADORA3ADORA2BADORA1AGTR1
SCHEMBL652334 0.92 AGTR1 (0.37) LTB4R2ADORA3ADORA2BADORA1AGTR1
SCHEMBL648072 0.92 AGTR1 (0.39) LTB4R2AGTR1TSHR

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