SCHEMBL7338662

SCHEMBL7338662

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

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 7/20 0.39
AGTR2 P50052 6/20 0.39
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
PPARG P37231 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
SCHEMBL7342247 0.95 AGTR1 (0.39) AGTR1AGTR2PPARG
SCHEMBL7336227 0.94 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL7345351 0.94 AGTR1 (0.35) AGTR1AGTR2KDM4ETDP1HCRTR1
SCHEMBL7340443 0.92 AGTR1 (0.36) AGTR1AGTR2HCRTR1HCRTR2PPARG
SCHEMBL7339202 0.89 AGTR1 (0.39) AGTR1AGTR2PPARG
SCHEMBL7343280 0.89 AGTR1 (0.39) AGTR1AGTR2PPARG
SCHEMBL7344699 0.88 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL7342993 0.88 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL7334022 0.88 HCRTR1 (0.39) AGTR1AGTR2KDM4ETDP1HCRTR1
SCHEMBL9552674 0.86 AGTR1 (0.53) 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