SCHEMBL7336435

SCHEMBL7336435

CCCCCn1nc(CCc2ccccc2)nc1Cc1ccc(-c2cnccc2C(=O)O)cc1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 1/20 0.49
AGTR1 P30556 13/20 0.47
AGTR2 P50052 12/20 0.47

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
SCHEMBL7342090 0.97 AGTR1 (0.50) LTB4R2AGTR1AGTR2
SCHEMBL7333902 0.94 LTB4R2 (0.51) LTB4R2AGTR1AGTR2
SCHEMBL7340014 0.94 LTB4R2 (0.46) LTB4R2AGTR1AGTR2
SCHEMBL7335058 0.93 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL7336047 0.93 AGTR1 (0.50) LTB4R2AGTR1AGTR2
SCHEMBL7336681 0.93 LTB4R2 (0.47) LTB4R2AGTR1AGTR2
SCHEMBL7336207 0.93 AGTR1 (0.49) LTB4R2AGTR1AGTR2
SCHEMBL7338588 0.91 AGTR1 (0.50) LTB4R2AGTR1AGTR2
SCHEMBL7339935 0.91 LTB4R2 (0.52) LTB4R2AGTR1AGTR2
SCHEMBL7338916 0.90 AGTR1 (0.50) AGTR1AGTR2

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