SCHEMBL651088

SCHEMBL651088

CCCCn1c(-c2ccccc2C)nc(-c2ccc(C)cc2)c1CN(Cc1ccc(C(=O)O)cc1)CC1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 3/20 0.40
PTGES O14684 3/20 0.40
LPAR1 Q92633 3/20 0.38
LPAR5 Q9H1C0 3/20 0.38
AGTR1 P30556 3/20 0.35
MME P08473 1/20 0.35
PPARG P37231 2/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
HDAC1 Q13547 1/20 0.34
ALOX5 P09917 1/20 0.34
TAS2R14 Q9NYV8 1/20 0.34

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
SCHEMBL651080 0.92 MEN1 (0.38) LTB4R2AGTR1MMEFNTAFNTB
SCHEMBL5137681 0.89 PTGES (0.44) LTB4R2PTGESLPAR1LPAR5HDAC1
SCHEMBL652625 0.89 LTB4R2 (0.41) LTB4R2PTGESAGTR1ALOX5TAS2R14
SCHEMBL651423 0.88 AGTR1 (0.42) LTB4R2AGTR1
SCHEMBL648516 0.88 LTB4R2 (0.40) LTB4R2PTGESAGTR1PPARGALOX5
SCHEMBL648639 0.87 AGTR1 (0.40) LTB4R2AGTR1
SCHEMBL653603 0.86 AGTR1 (0.40) LTB4R2AGTR1
SCHEMBL651087 0.85 LTB4R2 (0.34) LTB4R2PTGESAGTR1PPARGALOX5
SCHEMBL651348 0.85 LTB4R2 (0.39) LTB4R2PTGESAGTR1PPARGALOX5
SCHEMBL651282 0.85 LTB4R2 (0.39) LTB4R2PTGESAGTR1PPARGALOX5

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