SCHEMBL7336007

SCHEMBL7336007

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

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 1/20 0.46
AGTR1 P30556 9/20 0.43
AGTR2 P50052 6/20 0.42
PPARG P37231 1/20 0.39

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
SCHEMBL7331698 0.97 LTB4R2 (0.45) LTB4R2AGTR1AGTR2
SCHEMBL7332857 0.94 LTB4R2 (0.43) LTB4R2AGTR1AGTR2PPARG
SCHEMBL7337288 0.93 AGTR1 (0.43) LTB4R2AGTR1AGTR2PPARG
SCHEMBL7334152 0.91 AGTR1 (0.45) LTB4R2AGTR1AGTR2
SCHEMBL7337857 0.91 LTB4R2 (0.48) LTB4R2AGTR1AGTR2PPARG
SCHEMBL7336975 0.90 AGTR1 (0.40) LTB4R2AGTR1AGTR2
SCHEMBL7345279 0.90 AGTR1 (0.49) LTB4R2AGTR1AGTR2
SCHEMBL7341481 0.90 AGTR1 (0.53) LTB4R2AGTR1AGTR2
SCHEMBL7339935 0.89 LTB4R2 (0.52) LTB4R2AGTR1AGTR2PPARG
SCHEMBL7338588 0.89 AGTR1 (0.50) LTB4R2AGTR1AGTR2

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