SCHEMBL7334128

SCHEMBL7334128

CCCn1nc(C(=O)C2CCCCC2)nc1Cc1ccc(-c2ccncc2C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 2/20 0.38
AGTR1 P30556 5/20 0.36
PPARG P37231 2/20 0.36
AGTR2 P50052 3/20 0.36
KDM2B Q8NHM5 1/20 0.35
TBXA2R P21731 1/20 0.34
TBXAS1 P24557 1/20 0.34
KDM4C Q9H3R0 1/20 0.33
RIPK1 Q13546 1/20 0.33

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
SCHEMBL7332781 0.95 LTB4R2 (0.40) LTB4R2AGTR1PPARGAGTR2
SCHEMBL7334950 0.94 LTB4R2 (0.40) LTB4R2AGTR1PPARGAGTR2
SCHEMBL7338961 0.93 LTB4R2 (0.42) LTB4R2AGTR1PPARGAGTR2TBXA2R
SCHEMBL9723391 0.89 LTB4R2 (0.49) LTB4R2AGTR1PPARGAGTR2KDM2B
SCHEMBL7341843 0.88 LTB4R2 (0.45) LTB4R2AGTR1PPARGAGTR2TBXA2R
SCHEMBL7341295 0.88 AGTR1 (0.35) LTB4R2AGTR1PPARGAGTR2KDM4C
SCHEMBL7341131 0.87 LTB4R2 (0.44) LTB4R2AGTR1AGTR2TBXA2RTBXAS1
SCHEMBL7336855 0.86 LTB4R2 (0.39) LTB4R2AGTR1PPARGAGTR2TBXA2R
SCHEMBL7339891 0.85 BRS3 (0.40) LTB4R2AGTR1PPARGAGTR2KDM4C
SCHEMBL7344498 0.85 AGTR1 (0.39) LTB4R2AGTR1PPARGAGTR2KDM4C

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-6090828-A ARTHERIOSCLEROSIS REITZ DAVID B (US) 2000-07-18 US disclosed
US-5451593-A Method of using 5-arylheteroarylalkyl-1,3,5-trisubstituted-1,2,4-triazole compounds for treatment of a glaucoma disorder G. D. SEARLE & CO. (US) 1995-09-19 US disclosed
US-5451591-A Method of using 5-arylheteroarylalkyl-1,3 5-trisubstituted-1,24-triazole compounds for treatment of circulatory disorders G. D. SEARLE & CO. (US) 1995-09-19 US disclosed
US-5196537-A Angiotensin/II/ antagonists; hypotensive agents G. D. SEARLE & CO. (US) 1993-03-23 US disclosed
WO-1992016523-A1 5-ARYLHETEROARYLALKYL-1,3,5-TRISUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1992-10-01 WO disclosed
EP-0504888-A1 5-Arylheteroarylalkyl-1,3,5-trisubstituted-1,2,4-triazole compounds for treatment of circulatory disorders G.D. Searle & Co. (US) 1992-09-23 EP disclosed