SCHEMBL7343133

SCHEMBL7343133

CCCn1nc(C(=O)C2CCCCC2)nc1Cc1ccc(-c2ncccc2-c2nnn[nH]2)cc1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.33
TRPV1 Q8NER1 1/20 0.32
SLC33A1 O00400 1/20 0.31
AGTR2 P50052 1/20 0.31
AKT1 P31749 1/20 0.31

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
SCHEMBL7341266 0.95 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL7342375 0.95 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL7344662 0.94 AGTR1 (0.34) AGTR1TRPV1SLC33A1AGTR2
SCHEMBL9552245 0.90 AGTR1 (0.40) AGTR1SLC33A1AGTR2
SCHEMBL7342307 0.90 AGTR1 (0.33) AGTR1TRPV1SLC33A1AGTR2
SCHEMBL7340949 0.90 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL7344340 0.89 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL7343156 0.86 AGTR1 (0.35) AGTR1
SCHEMBL7346288 0.86 AGTR1 (0.35) AGTR1
SCHEMBL7335539 0.85 AGTR1 (0.32) AGTR1TRPV1SLC33A1

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