SCHEMBL7344962

SCHEMBL7344962

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

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 11/20 0.41
AGTR2 P50052 10/20 0.40
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL7341158 0.97 AGTR1 (0.43) AGTR1AGTR2KDM4ETDP1
SCHEMBL7342971 0.93 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL7344965 0.93 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL7344561 0.93 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL7339362 0.93 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL7332613 0.93 KDM4E (0.40) AGTR1AGTR2KDM4ETDP1
SCHEMBL7346675 0.91 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL7340424 0.91 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL7344317 0.91 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL7331585 0.90 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 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