SCHEMBL648302

SCHEMBL648302

CCCCN(Cc1ccc(C(=O)OC)cc1)Cc1c(-c2ccc(C)cc2)nc(-c2ccccc2C)n1CCCC

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.38
AGTR2 P50052 1/20 0.38
LPAR1 Q92633 1/20 0.38
LPAR5 Q9H1C0 1/20 0.38
CMKLR1 Q99788 1/20 0.38
TLR7 Q9NYK1 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.35
DRD2 P14416 1/20 0.35
TBXA2R P21731 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
SCHEMBL649495 0.98 TLR8 (0.36) AGTR1AGTR2LPAR1LPAR5CMKLR1
SCHEMBL652771 0.97 TLR8 (0.36) AGTR1AGTR2LPAR1LPAR5CMKLR1
SCHEMBL652332 0.97 AGTR1 (0.36) AGTR1AGTR2LPAR1LPAR5CMKLR1
SCHEMBL648072 0.94 AGTR1 (0.39) AGTR1TLR7LTB4R2DRD2TBXA2R
SCHEMBL650292 0.93 HDAC1 (0.35) AGTR1AGTR2LPAR1LPAR5CMKLR1
SCHEMBL651303 0.93 MC4R (0.37) AGTR1AGTR2LPAR1LPAR5CMKLR1
SCHEMBL650986 0.91 AGTR1 (0.35) AGTR1CMKLR1LTB4R2DRD2TBXA2R
SCHEMBL648274 0.91 AGTR1 (0.35) AGTR1LPAR1LPAR5CMKLR1LTB4R2
SCHEMBL651300 0.91 AGTR1 (0.35) AGTR1LPAR1LPAR5CMKLR1TLR7
SCHEMBL651423 0.91 AGTR1 (0.42) AGTR1AGTR2LTB4R2

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