SCHEMBL7335263

SCHEMBL7335263

CCCC(=O)c1nc(Cc2ccc(-c3ncccc3C(=O)O)cc2)n(CCC)n1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
AGTR1 P30556 6/20 0.37
AGTR2 P50052 4/20 0.37
PPARG P37231 2/20 0.37
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 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
SCHEMBL7332818 0.94 AGTR1 (0.38) KDM4ETDP1AGTR1AGTR2PPARG
SCHEMBL7336899 0.94 AGTR1 (0.41) KDM4ETDP1AGTR1AGTR2PPARG
SCHEMBL7336908 0.94 AGTR1 (0.39) KDM4ETDP1AGTR1AGTR2PPARG
SCHEMBL7342792 0.93 KDM4E (0.39) KDM4ETDP1AGTR1AGTR2PPARG
SCHEMBL7338461 0.91 AGTR1 (0.40) KDM4ETDP1AGTR1AGTR2PPARG
SCHEMBL7342490 0.91 AGTR1 (0.41) KDM4ETDP1AGTR1AGTR2PPARG
SCHEMBL7342933 0.90 AGTR1 (0.39) KDM4ETDP1AGTR1AGTR2PPARG
SCHEMBL7334228 0.88 AGTR1 (0.42) KDM4ETDP1AGTR1AGTR2PPARG
SCHEMBL7344958 0.88 AGTR1 (0.38) KDM4ETDP1AGTR1AGTR2PPARG
SCHEMBL7333941 0.87 AGTR1 (0.39) KDM4ETDP1AGTR1AGTR2PPARG

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