SCHEMBL7337237

SCHEMBL7337237

CCCn1nc(C(=O)CC2CCCCC2)nc1Cc1ccc(-c2cccnc2-c2nnn[nH]2)cc1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.34
AGTR2 P50052 1/20 0.34
SLC33A1 O00400 1/20 0.31
TRPV1 Q8NER1 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
SCHEMBL7340411 0.96 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL7335172 0.95 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL7342307 0.94 AGTR1 (0.33) AGTR1AGTR2SLC33A1TRPV1
SCHEMBL7342698 0.90 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL7344662 0.90 AGTR1 (0.34) AGTR1AGTR2SLC33A1TRPV1
SCHEMBL8178033 0.89 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL7344953 0.88 AGTR1 (0.37) AGTR1
SCHEMBL8841991 0.88 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL7335468 0.88 AGTR1 (0.37) AGTR1
SCHEMBL8841747 0.87 AGTR1 (0.42) 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