SCHEMBL7339142

SCHEMBL7339142

CCCn1nc(CC(C)C)nc1Cc1ccc(-c2ncccc2C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 7/20 0.39
AGTR2 P50052 4/20 0.39
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
DHODH Q02127 1/20 0.35
PPARG P37231 2/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35

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
SCHEMBL7334027 0.94 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL7344317 0.94 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL7335691 0.91 AGTR1 (0.37) AGTR1AGTR2KDM4ETDP1
SCHEMBL7332613 0.90 KDM4E (0.40) AGTR1AGTR2KDM4ETDP1PPARG
SCHEMBL7343068 0.89 AGTR1 (0.44) AGTR1AGTR2KDM4ETDP1PPARG
SCHEMBL7343123 0.89 AGTR1 (0.40) AGTR1AGTR2KDM4ETDP1HCRTR1
SCHEMBL7331726 0.88 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL7344403 0.87 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL7340259 0.87 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL7338584 0.87 KDM4E (0.39) AGTR1AGTR2KDM4ETDP1PPARG

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