SCHEMBL9552157

SCHEMBL9552157

C=CCCn1nc(CCC2CCCCC2)nc1Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 6/20 0.49
AGTR1 P30556 6/20 0.44
AGTR2 P50052 6/20 0.44
LTB4R2 Q9NPC1 1/20 0.39

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
SCHEMBL9553210 0.92 BRS3 (0.47) BRS3AGTR1AGTR2LTB4R2
SCHEMBL9552294 0.88 AGTR1 (0.51) BRS3AGTR1AGTR2
SCHEMBL6007266 0.87 BRS3 (0.49) BRS3AGTR1AGTR2
SCHEMBL9553102 0.87 BRS3 (0.52) BRS3AGTR1AGTR2LTB4R2
SCHEMBL9552481 0.87 BRS3 (0.49) BRS3AGTR1AGTR2LTB4R2
SCHEMBL9552103 0.87 AGTR1 (0.51) BRS3AGTR1AGTR2LTB4R2
SCHEMBL9553291 0.86 AGTR1 (0.51) BRS3AGTR1AGTR2LTB4R2
SCHEMBL9552505 0.86 AGTR1 (0.52) BRS3AGTR1AGTR2
SCHEMBL9553030 0.85 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL9552958 0.85 BRS3 (0.49) BRS3AGTR1AGTR2LTB4R2

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