SCHEMBL648516

SCHEMBL648516

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

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 4/20 0.40
AGTR1 P30556 2/20 0.39
AGTR2 P50052 2/20 0.39
ADORA3 P0DMS8 1/20 0.37
ADORA2B P29275 1/20 0.37
ADORA1 P30542 1/20 0.37
LTA4H P09960 1/20 0.37
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
PPARG P37231 2/20 0.36
NR1H4 Q96RI1 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
SCHEMBL651423 0.97 AGTR1 (0.42) LTB4R2AGTR1AGTR2ADORA3ADORA2B
SCHEMBL648639 0.96 AGTR1 (0.40) LTB4R2AGTR1AGTR2ADORA3ADORA2B
SCHEMBL653603 0.95 AGTR1 (0.40) LTB4R2AGTR1AGTR2LTA4H
SCHEMBL652625 0.95 LTB4R2 (0.41) LTB4R2AGTR1AGTR2ADORA3ADORA2B
SCHEMBL648589 0.93 LTB4R2 (0.38) LTB4R2AGTR1AGTR2ADORA3ADORA2B
SCHEMBL650060 0.93 LTB4R2 (0.38) LTB4R2AGTR1AGTR2ADORA3ADORA2B
SCHEMBL648502 0.92 LTA4H (0.42) LTB4R2AGTR1AGTR2ADORA3ADORA2B
SCHEMBL651348 0.91 LTB4R2 (0.39) LTB4R2AGTR1AGTR2ADORA3ADORA2B
SCHEMBL652332 0.91 AGTR1 (0.36) LTB4R2AGTR1AGTR2
SCHEMBL651282 0.91 LTB4R2 (0.39) LTB4R2AGTR1AGTR2ADORA3ADORA2B

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