SCHEMBL7334544

SCHEMBL7334544

CCCCCn1nc(C(=O)CCC)nc1Cc1ccc(-c2cnccc2C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 2/20 0.48
AGTR1 P30556 12/20 0.41
AGTR2 P50052 10/20 0.41
KDM4C Q9H3R0 1/20 0.40
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
SCHEMBL7341797 0.97 LTB4R2 (0.48) LTB4R2AGTR1AGTR2KDM4CPPARG
SCHEMBL7332749 0.96 LTB4R2 (0.50) LTB4R2AGTR1AGTR2KDM4CPPARG
SCHEMBL7335667 0.94 LTB4R2 (0.46) LTB4R2AGTR1AGTR2KDM4CPPARG
SCHEMBL7336280 0.94 LTB4R2 (0.51) LTB4R2AGTR1AGTR2PPARG
SCHEMBL7338538 0.94 LTB4R2 (0.46) LTB4R2AGTR1AGTR2KDM4CPPARG
SCHEMBL7334252 0.93 AGTR1 (0.41) LTB4R2AGTR1AGTR2KDM4CPPARG
SCHEMBL7336184 0.92 LTB4R2 (0.51) LTB4R2AGTR1AGTR2KDM4CPPARG
SCHEMBL7341403 0.91 LTB4R2 (0.49) LTB4R2AGTR1AGTR2
SCHEMBL7335653 0.91 LTB4R2 (0.47) LTB4R2AGTR1AGTR2PPARG
SCHEMBL7336494 0.90 AGTR1 (0.43) 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