SCHEMBL7341843

SCHEMBL7341843

CCCCn1nc(C(=O)C2CCCCC2)nc1Cc1ccc(-c2cnccc2C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 3/20 0.45
AGTR1 P30556 6/20 0.40
AGTR2 P50052 4/20 0.40
PPARG P37231 1/20 0.37
TBXA2R P21731 1/20 0.35
TBXAS1 P24557 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
SCHEMBL7341131 0.97 LTB4R2 (0.44) LTB4R2AGTR1AGTR2TBXA2RTBXAS1
SCHEMBL7338961 0.95 LTB4R2 (0.42) LTB4R2AGTR1AGTR2PPARGTBXA2R
SCHEMBL7332781 0.93 LTB4R2 (0.40) LTB4R2AGTR1AGTR2PPARG
SCHEMBL7334950 0.91 LTB4R2 (0.40) LTB4R2AGTR1AGTR2PPARG
SCHEMBL7335785 0.89 LTB4R2 (0.42) LTB4R2AGTR1AGTR2PPARGTBXA2R
SCHEMBL7334128 0.88 LTB4R2 (0.38) LTB4R2AGTR1AGTR2PPARGTBXA2R
SCHEMBL9552403 0.86 LTB4R2 (0.51) LTB4R2AGTR1AGTR2PPARG
SCHEMBL7339720 0.86 LTB4R2 (0.46) LTB4R2AGTR1AGTR2PPARGTBXA2R
SCHEMBL7335506 0.86 LTB4R2 (0.41) LTB4R2AGTR1AGTR2TBXA2RTBXAS1
SCHEMBL9553466 0.86 LTB4R2 (0.51) LTB4R2AGTR1AGTR2PPARG

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