SCHEMBL7333245

SCHEMBL7333245

CCCn1nc(CC2CCCCC2)nc1Cc1ccc(-c2cccnc2C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.43
AGTR2 P50052 2/20 0.43
BRS3 P32247 5/20 0.39
MME P08473 1/20 0.37
MLNR O43193 1/20 0.36
CYP3A4 P08684 1/20 0.36
LTB4R2 Q9NPC1 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
SCHEMBL7336490 0.95 AGTR1 (0.46) AGTR1AGTR2BRS3MMELTB4R2
SCHEMBL7344811 0.94 AGTR1 (0.45) AGTR1AGTR2BRS3MMELTB4R2
SCHEMBL7334501 0.92 AGTR1 (0.44) AGTR1AGTR2BRS3MME
SCHEMBL9552249 0.88 BRS3 (0.49) AGTR1AGTR2BRS3MMELTB4R2
SCHEMBL7343239 0.87 BRS3 (0.38) AGTR1AGTR2BRS3LTB4R2
SCHEMBL7333385 0.87 AGTR1 (0.46) AGTR1AGTR2BRS3MME
SCHEMBL7335369 0.86 AGTR1 (0.42) AGTR1AGTR2BRS3MME
SCHEMBL7344925 0.86 AGTR1 (0.48) AGTR1AGTR2BRS3
SCHEMBL7342216 0.86 AGTR1 (0.46) AGTR1AGTR2BRS3MME
SCHEMBL7333138 0.86 AGTR1 (0.44) AGTR1AGTR2BRS3LTB4R2

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