SCHEMBL7339733

SCHEMBL7339733

CCCCn1nc(C(C)C)nc1Cc1ccc(-c2ncccc2C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 8/20 0.42
AGTR2 P50052 5/20 0.42
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PPARG P37231 1/20 0.36

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
SCHEMBL7336202 0.97 AGTR1 (0.39) AGTR1AGTR2KDM4ETDP1
SCHEMBL7338584 0.94 KDM4E (0.39) AGTR1AGTR2KDM4ETDP1PPARG
SCHEMBL7332186 0.93 AGTR1 (0.41) AGTR1AGTR2KDM4ETDP1PPARG
SCHEMBL7341181 0.90 AGTR1 (0.38) AGTR1AGTR2KDM4ETDP1
SCHEMBL7340151 0.87 AGTR1 (0.43) AGTR1AGTR2KDM4ETDP1PPARG
SCHEMBL7334027 0.87 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL7334453 0.87 TDP1 (0.37) AGTR1AGTR2KDM4ETDP1PPARG
SCHEMBL7341158 0.87 AGTR1 (0.43) AGTR1AGTR2KDM4ETDP1
SCHEMBL7336621 0.86 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL7331585 0.86 AGTR1 (0.44) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0804464-A1 AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1997-11-05 EP claimed
WO-1996018644-A1 AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1996-06-20 WO claimed
US-6090828-A ARTHERIOSCLEROSIS REITZ DAVID B (US) 2000-07-18 US disclosed
EP-0804464-A1 AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1997-11-05 EP disclosed
WO-1996018644-A1 AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1996-06-20 WO 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