SCHEMBL648639

SCHEMBL648639

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

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.40
AGTR2 P50052 4/20 0.40
LTB4R2 Q9NPC1 4/20 0.40
LTA4H P09960 1/20 0.38
RARB P10826 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 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
SCHEMBL653603 0.99 AGTR1 (0.40) AGTR1AGTR2LTB4R2LTA4HRARB
SCHEMBL651423 0.97 AGTR1 (0.42) AGTR1AGTR2LTB4R2LTA4HADORA3
SCHEMBL648516 0.96 LTB4R2 (0.40) AGTR1AGTR2LTB4R2LTA4HADORA3
SCHEMBL652625 0.94 LTB4R2 (0.41) AGTR1AGTR2LTB4R2ADORA3ADORA2B
SCHEMBL648502 0.93 LTA4H (0.42) AGTR1AGTR2LTB4R2LTA4HADORA3
SCHEMBL648589 0.92 LTB4R2 (0.38) AGTR1AGTR2LTB4R2LTA4HRARB
SCHEMBL650060 0.92 LTB4R2 (0.38) AGTR1AGTR2LTB4R2LTA4HADORA3
SCHEMBL649495 0.91 TLR8 (0.36) AGTR1AGTR2
SCHEMBL652771 0.90 TLR8 (0.36) AGTR1AGTR2
SCHEMBL651348 0.90 LTB4R2 (0.39) AGTR1AGTR2LTB4R2ADORA3ADORA2B

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 6 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
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