SCHEMBL9553000

SCHEMBL9553000

C=CCCn1nc(C(=O)CC2CCCCC2)nc1Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.44
AGTR2 P50052 3/20 0.44
BRS3 P32247 6/20 0.42
LTB4R2 Q9NPC1 3/20 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
SCHEMBL9553391 0.88 AGTR1 (0.45) AGTR1AGTR2BRS3LTB4R2
SCHEMBL9552881 0.87 AGTR1 (0.52) AGTR1AGTR2LTB4R2
SCHEMBL9553210 0.87 BRS3 (0.47) AGTR1AGTR2BRS3LTB4R2
SCHEMBL9553175 0.87 AGTR1 (0.47) AGTR1AGTR2BRS3LTB4R2
SCHEMBL9552901 0.87 AGTR1 (0.49) AGTR1AGTR2LTB4R2
SCHEMBL9552567 0.87 AGTR1 (0.44) AGTR1AGTR2BRS3LTB4R2
SCHEMBL6006302 0.87 AGTR1 (0.46) AGTR1AGTR2BRS3
SCHEMBL9552162 0.87 AGTR1 (0.44) AGTR1AGTR2BRS3LTB4R2
SCHEMBL9552072 0.86 AGTR1 (0.49) AGTR1AGTR2LTB4R2
SCHEMBL9552634 0.86 AGTR1 (0.52) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5229406-A Treatment of glaucoma G. D. SEARLE & CO. (US) 1993-07-20 US disclosed
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