SCHEMBL9723391

SCHEMBL9723391

CCCn1nc(C(=O)C2CCCCC2)nc1Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 1/20 0.49
AGTR1 P30556 6/20 0.47
AGTR2 P50052 4/20 0.47
KDM2B Q8NHM5 1/20 0.45
PPARG P37231 3/20 0.44

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
SCHEMBL9552403 0.94 LTB4R2 (0.51) LTB4R2AGTR1AGTR2PPARG
SCHEMBL9552996 0.94 AGTR1 (0.49) LTB4R2AGTR1AGTR2PPARG
SCHEMBL9553466 0.93 LTB4R2 (0.51) LTB4R2AGTR1AGTR2PPARG
SCHEMBL9552258 0.90 AGTR1 (0.45) LTB4R2AGTR1AGTR2
SCHEMBL7341321 0.90 LTB4R2 (0.39) LTB4R2AGTR1AGTR2KDM2BPPARG
SCHEMBL9552237 0.89 AGTR1 (0.46) LTB4R2AGTR1AGTR2
SCHEMBL7339270 0.89 KDM2B (0.41) LTB4R2AGTR1AGTR2KDM2BPPARG
SCHEMBL7338961 0.89 LTB4R2 (0.42) LTB4R2AGTR1AGTR2PPARG
SCHEMBL7334128 0.89 LTB4R2 (0.38) LTB4R2AGTR1AGTR2KDM2BPPARG
SCHEMBL9553391 0.89 AGTR1 (0.45) LTB4R2AGTR1AGTR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5140036-A Hypotensive agents; congestive heart failure; angiotensin antagonists G. D. SEARLE & CO. (US) 1992-08-18 US disclosed
WO-1992005161-A1 1,3,5-TRISUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1992-04-02 WO disclosed