SCHEMBL9553045

SCHEMBL9553045

CC(C)CCn1nc(C2CCCCC2)nc1Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 7/20 0.47
AGTR1 P30556 4/20 0.47
AGTR2 P50052 4/20 0.47
LTB4R2 Q9NPC1 2/20 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
SCHEMBL9552450 0.91 BRS3 (0.48) BRS3AGTR1AGTR2LTB4R2
SCHEMBL9552613 0.90 LTB4R2 (0.51) BRS3AGTR1AGTR2LTB4R2
SCHEMBL9552591 0.88 LTB4R2 (0.54) AGTR1AGTR2LTB4R2
SCHEMBL9553715 0.88 AGTR1 (0.50) BRS3AGTR1AGTR2LTB4R2
SCHEMBL9552981 0.88 LTB4R2 (0.53) AGTR1AGTR2LTB4R2
SCHEMBL9553338 0.87 LTB4R2 (0.52) AGTR1AGTR2LTB4R2
SCHEMBL9552244 0.87 BRS3 (0.49) BRS3AGTR1AGTR2LTB4R2
SCHEMBL9552258 0.86 AGTR1 (0.45) BRS3AGTR1AGTR2LTB4R2
SCHEMBL9553704 0.86 AGTR1 (0.47) BRS3AGTR1AGTR2LTB4R2
SCHEMBL9552324 0.86 AGTR1 (0.47) 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