SCHEMBL7335172

SCHEMBL7335172

CCCCCn1nc(C(=O)CC2CCCCC2)nc1Cc1ccc(-c2cccnc2-c2nnn[nH]2)cc1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.37
AGTR2 P50052 4/20 0.36
CNR2 P34972 2/20 0.33
PPARG P37231 1/20 0.33

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
SCHEMBL7340411 0.98 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL7337237 0.95 AGTR1 (0.34) AGTR1AGTR2
SCHEMBL8178033 0.94 AGTR1 (0.35) AGTR1AGTR2CNR2PPARG
SCHEMBL7342698 0.92 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL9552067 0.91 AGTR1 (0.42) AGTR1AGTR2PPARG
SCHEMBL7344340 0.90 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL9552502 0.90 AGTR1 (0.42) AGTR1AGTR2PPARG
SCHEMBL7342307 0.89 AGTR1 (0.33) AGTR1AGTR2
SCHEMBL7335607 0.89 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL8842392 0.89 AGTR1 (0.40) 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