SCHEMBL7333554

SCHEMBL7333554

CCCCCn1nc(C(CCCC)(OC)OC)nc1Cc1ccc(-c2ccccc2C(=O)O)cn1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 13/20 0.42
AGTR2 P50052 12/20 0.42
PTPN11 Q06124 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
SCHEMBL8195474 0.97 AGTR1 (0.45) AGTR1AGTR2PTPN11
SCHEMBL7335845 0.97 AGTR1 (0.42) AGTR1AGTR2PTPN11PPARG
SCHEMBL7342349 0.96 AGTR1 (0.41) AGTR1AGTR2PTPN11PPARG
SCHEMBL7344203 0.94 AGTR1 (0.45) AGTR1AGTR2PTPN11
SCHEMBL7341437 0.94 AGTR1 (0.44) AGTR1AGTR2PTPN11PPARG
SCHEMBL7335485 0.91 AGTR1 (0.45) AGTR1AGTR2PTPN11
SCHEMBL7335462 0.91 AGTR1 (0.38) AGTR1AGTR2PPARG
SCHEMBL9552533 0.90 AGTR1 (0.49) AGTR1AGTR2PPARG
SCHEMBL9553191 0.89 AGTR1 (0.49) AGTR1AGTR2PPARG
SCHEMBL7342070 0.88 AGTR1 (0.41) AGTR1AGTR2PPARG

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