SCHEMBL650386

SCHEMBL650386

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

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 3/20 0.39
AGTR1 P30556 3/20 0.36
PPARG P37231 3/20 0.36
ADORA3 P0DMS8 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
AGTR2 P50052 1/20 0.35
PTGES O14684 1/20 0.35
ALOX5 P09917 1/20 0.35
PIN1 Q13526 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
SCHEMBL652625 0.93 LTB4R2 (0.41) LTB4R2AGTR1ADORA3ADORA2BADORA1
SCHEMBL648589 0.92 LTB4R2 (0.38) LTB4R2AGTR1PPARGADORA3ADORA2B
SCHEMBL651300 0.91 AGTR1 (0.35) LTB4R2AGTR1
SCHEMBL651423 0.91 AGTR1 (0.42) LTB4R2AGTR1ADORA3ADORA2BADORA1
SCHEMBL648516 0.91 LTB4R2 (0.40) LTB4R2AGTR1PPARGADORA3ADORA2B
SCHEMBL648639 0.90 AGTR1 (0.40) LTB4R2AGTR1ADORA3ADORA2BADORA1
SCHEMBL653603 0.89 AGTR1 (0.40) LTB4R2AGTR1AGTR2
SCHEMBL651348 0.89 LTB4R2 (0.39) LTB4R2AGTR1PPARGADORA3ADORA2B
SCHEMBL651282 0.89 LTB4R2 (0.39) LTB4R2AGTR1PPARGADORA3ADORA2B
SCHEMBL651577 0.88 ADORA3 (0.39) LTB4R2AGTR1ADORA3ADORA2BADORA1

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