SCHEMBL7336202

SCHEMBL7336202

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

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 10/20 0.39
AGTR2 P50052 10/20 0.39
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL7339733 0.97 AGTR1 (0.42) AGTR1AGTR2KDM4ETDP1
SCHEMBL7338584 0.93 KDM4E (0.39) AGTR1AGTR2KDM4ETDP1
SCHEMBL7341181 0.93 AGTR1 (0.38) AGTR1AGTR2KDM4ETDP1
SCHEMBL7332186 0.90 AGTR1 (0.41) AGTR1AGTR2KDM4ETDP1
SCHEMBL7344887 0.88 AGTR1 (0.41) AGTR1AGTR2KDM4ETDP1
SCHEMBL7344317 0.87 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL7344962 0.87 AGTR1 (0.41) AGTR1AGTR2KDM4ETDP1
SCHEMBL7342971 0.86 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL7344561 0.86 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL7339362 0.86 AGTR1 (0.47) 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 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