SCHEMBL7340411

SCHEMBL7340411

CCCCn1nc(C(=O)CC2CCCCC2)nc1Cc1ccc(-c2cccnc2-c2nnn[nH]2)cc1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.39
AGTR2 P50052 1/20 0.36
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34

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
SCHEMBL7335172 0.98 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL7337237 0.96 AGTR1 (0.34) AGTR1AGTR2
SCHEMBL7342698 0.94 AGTR1 (0.37) AGTR1AGTR2PDE4APDE4BPDE4C
SCHEMBL8178033 0.92 AGTR1 (0.35) AGTR1AGTR2PDE4APDE4BPDE4C
SCHEMBL9552163 0.90 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL7342307 0.90 AGTR1 (0.33) AGTR1AGTR2
SCHEMBL7340949 0.90 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL7342374 0.89 AGTR1 (0.43) AGTR1
SCHEMBL8841747 0.89 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9552067 0.88 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