SCHEMBL7335667

SCHEMBL7335667

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

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 2/20 0.46
AGTR1 P30556 13/20 0.41
AGTR2 P50052 11/20 0.41
KDM4C Q9H3R0 1/20 0.39
PPARG P37231 1/20 0.38

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
SCHEMBL7335653 0.97 LTB4R2 (0.47) LTB4R2AGTR1AGTR2PPARG
SCHEMBL7332749 0.94 LTB4R2 (0.50) LTB4R2AGTR1AGTR2KDM4CPPARG
SCHEMBL7334544 0.94 LTB4R2 (0.48) LTB4R2AGTR1AGTR2KDM4CPPARG
SCHEMBL7333589 0.93 LTB4R2 (0.44) LTB4R2AGTR1AGTR2KDM4CPPARG
SCHEMBL7343914 0.93 AGTR1 (0.41) LTB4R2AGTR1AGTR2PPARG
SCHEMBL7341403 0.92 LTB4R2 (0.49) LTB4R2AGTR1AGTR2
SCHEMBL7336280 0.91 LTB4R2 (0.51) LTB4R2AGTR1AGTR2PPARG
SCHEMBL7341797 0.91 LTB4R2 (0.48) LTB4R2AGTR1AGTR2KDM4CPPARG
SCHEMBL7339392 0.90 AGTR1 (0.44) LTB4R2AGTR1AGTR2PPARG
SCHEMBL8190208 0.89 LTB4R2 (0.49) 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