SCHEMBL7336285

SCHEMBL7336285

CCCCCn1nc(C(F)(F)CCC)nc1Cc1ccc(-c2ncccc2C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 10/20 0.37
AGTR2 P50052 10/20 0.37

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 0.97 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL7335136 0.94 KDM4E (0.36) AGTR1AGTR2
SCHEMBL7338012 0.89 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL7342993 0.88 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL9553255 0.87 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL7345764 0.87 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL7344699 0.86 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL7334073 0.86 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9552307 0.86 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL7344962 0.86 AGTR1 (0.41) 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-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
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