SCHEMBL7344403

SCHEMBL7344403

CCCn1nc(CCc2ccccc2)nc1Cc1ccc(-c2ncccc2C(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 8/20 0.40
AGTR2 P50052 7/20 0.40
BRS3 P32247 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 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
SCHEMBL7339536 0.94 AGTR1 (0.47) AGTR1AGTR2BRS3
SCHEMBL7340424 0.94 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL7343068 0.93 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL7343123 0.93 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL7331726 0.91 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL7340259 0.91 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL7332613 0.90 KDM4E (0.40) AGTR1AGTR2
SCHEMBL7335691 0.89 AGTR1 (0.37) AGTR1AGTR2BRS3
SCHEMBL7336621 0.88 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL7331585 0.88 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