SCHEMBL7333548

SCHEMBL7333548

CCCn1nc(-c2ccccc2)nc1Cc1ccc(-c2cccnc2C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.48
AGTR2 P50052 2/20 0.48
HDAC6 Q9UBN7 1/20 0.43
BRS3 P32247 1/20 0.41
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
NR1H3 Q13133 1/20 0.40
PPARG P37231 1/20 0.40

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
SCHEMBL7332621 0.94 AGTR1 (0.51) AGTR1AGTR2NR1H3
SCHEMBL7334324 0.93 AGTR1 (0.50) AGTR1AGTR2HDAC6NR1H3
SCHEMBL7345000 0.88 AGTR1 (0.48) AGTR1AGTR2BRS3NR1H3
SCHEMBL7337983 0.88 AGTR1 (0.49) AGTR1AGTR2BRS3HCRTR1HCRTR2
SCHEMBL7336425 0.87 AGTR1 (0.46) AGTR1AGTR2BRS3PPARG
SCHEMBL7344925 0.87 AGTR1 (0.48) AGTR1AGTR2BRS3
SCHEMBL7334234 0.86 AGTR1 (0.50) AGTR1AGTR2BRS3PPARG
SCHEMBL9552365 0.85 AGTR1 (0.54) AGTR1AGTR2PPARG
SCHEMBL7332790 0.85 AGTR1 (0.46) AGTR1AGTR2BRS3PPARG
SCHEMBL7342047 0.85 AGTR1 (0.48) AGTR1AGTR2BRS3

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