SCHEMBL653603

SCHEMBL653603

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

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.40
AGTR2 P50052 4/20 0.40
LTB4R2 Q9NPC1 4/20 0.39
RARB P10826 5/20 0.38
LTA4H P09960 1/20 0.38
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RARA P10276 1/20 0.36
MAPT P10636 1/20 0.36
MTOR P42345 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL648639 0.99 AGTR1 (0.40) AGTR1AGTR2LTB4R2RARBLTA4H
SCHEMBL651423 0.97 AGTR1 (0.42) AGTR1AGTR2LTB4R2LTA4H
SCHEMBL648516 0.95 LTB4R2 (0.40) AGTR1AGTR2LTB4R2LTA4H
SCHEMBL652625 0.93 LTB4R2 (0.41) AGTR1AGTR2LTB4R2
SCHEMBL648502 0.92 LTA4H (0.42) AGTR1AGTR2LTB4R2LTA4H
SCHEMBL652771 0.91 TLR8 (0.36) AGTR1AGTR2
SCHEMBL648589 0.91 LTB4R2 (0.38) AGTR1AGTR2LTB4R2RARBLTA4H
SCHEMBL650060 0.91 LTB4R2 (0.38) AGTR1AGTR2LTB4R2LTA4HKMT2A
SCHEMBL649495 0.90 TLR8 (0.36) AGTR1AGTR2
SCHEMBL651348 0.89 LTB4R2 (0.39) AGTR1AGTR2LTB4R2MEN1ALDH1A1

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