SCHEMBL7340528

SCHEMBL7340528

CCCn1nc(C(=O)C2CCCCC2)nc1Cc1ccc(-c2ncccc2C(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 1/20 0.36
ALDH1A1 P00352 1/20 0.35
AGTR1 P30556 2/20 0.34
AGTR2 P50052 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
RIPK1 Q13546 3/20 0.33
KDM2B Q8NHM5 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
PPARG P37231 1/20 0.33
RORC P51449 1/20 0.33

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
SCHEMBL7336310 0.95 LTB4R2 (0.39) LTB4R2ALDH1A1AGTR1AGTR2PPARG
SCHEMBL7344591 0.94 LTB4R2 (0.38) LTB4R2ALDH1A1AGTR1AGTR2
SCHEMBL7362349 0.88 ALDH1A1 (0.35) LTB4R2ALDH1A1AGTR1AGTR2KDM4E
SCHEMBL9723391 0.87 LTB4R2 (0.49) LTB4R2AGTR1AGTR2KDM2BPPARG
SCHEMBL7340882 0.86 AGTR1 (0.43) LTB4R2AGTR1AGTR2KDM2B
SCHEMBL7333254 0.86 LTB4R2 (0.37) LTB4R2ALDH1A1AGTR1AGTR2KDM4E
SCHEMBL7343239 0.85 BRS3 (0.38) LTB4R2ALDH1A1AGTR1AGTR2
SCHEMBL7342792 0.85 KDM4E (0.39) AGTR1AGTR2KDM4ETDP1PPARG
SCHEMBL7335263 0.84 KDM4E (0.38) AGTR1AGTR2KDM4ETDP1PPARG
SCHEMBL7364167 0.83 AGTR1 (0.39) LTB4R2ALDH1A1AGTR1AGTR2

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