SCHEMBL7335136

SCHEMBL7335136

CCCn1nc(C(F)(F)CCC)nc1Cc1ccc(-c2ncccc2C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
AGTR1 P30556 3/20 0.35
AGTR2 P50052 2/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
PPARG P37231 2/20 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
SCHEMBL7341401 0.95 AGTR1 (0.40) AGTR1AGTR2PPARG
SCHEMBL7336285 0.94 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL7334022 0.89 HCRTR1 (0.39) KDM4ETDP1AGTR1AGTR2HCRTR1
SCHEMBL7345351 0.88 AGTR1 (0.35) KDM4ETDP1AGTR1AGTR2HCRTR1
SCHEMBL9552692 0.86 AGTR1 (0.49) AGTR1AGTR2PPARG
SCHEMBL7337384 0.85 AGTR1 (0.45) AGTR1AGTR2HCRTR1HCRTR2
SCHEMBL7332613 0.85 KDM4E (0.40) KDM4ETDP1AGTR1AGTR2HCRTR1
SCHEMBL7338662 0.85 AGTR1 (0.39) KDM4ETDP1AGTR1AGTR2HCRTR1
SCHEMBL7340443 0.84 AGTR1 (0.36) AGTR1AGTR2HCRTR1HCRTR2PPARG
SCHEMBL8841504 0.84 AGTR1 (0.49) 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 5 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-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