SCHEMBL651282

SCHEMBL651282

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

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 5/20 0.39
ADORA3 P0DMS8 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
AGTR1 P30556 2/20 0.35
AGTR2 P50052 1/20 0.35
PTGES O14684 1/20 0.35
ALOX5 P09917 1/20 0.35
PPARG P37231 2/20 0.35
OPRK1 P41145 1/20 0.35
NR1H4 Q96RI1 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
SCHEMBL650060 0.94 LTB4R2 (0.38) LTB4R2ADORA3ADORA2BADORA1AGTR1
SCHEMBL651348 0.94 LTB4R2 (0.39) LTB4R2ADORA3ADORA2BADORA1AGTR1
SCHEMBL652625 0.93 LTB4R2 (0.41) LTB4R2ADORA3ADORA2BADORA1AGTR1
SCHEMBL650986 0.91 AGTR1 (0.35) LTB4R2AGTR1OPRK1
SCHEMBL651423 0.91 AGTR1 (0.42) LTB4R2ADORA3ADORA2BADORA1AGTR1
SCHEMBL648516 0.91 LTB4R2 (0.40) LTB4R2ADORA3ADORA2BADORA1AGTR1
SCHEMBL648639 0.90 AGTR1 (0.40) LTB4R2ADORA3ADORA2BADORA1AGTR1
SCHEMBL653603 0.89 AGTR1 (0.40) LTB4R2AGTR1AGTR2
SCHEMBL648513 0.89 HDAC1 (0.40) LTB4R2ADORA3ADORA2BADORA1AGTR1
SCHEMBL650386 0.89 LTB4R2 (0.39) LTB4R2ADORA3ADORA2BADORA1AGTR1

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