SCHEMBL9552249

SCHEMBL9552249

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

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 5/20 0.49
AGTR1 P30556 8/20 0.48
AGTR2 P50052 6/20 0.48
LTB4R2 Q9NPC1 1/20 0.48
MME P08473 1/20 0.45
PPARG P37231 1/20 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
SCHEMBL9552127 0.95 AGTR1 (0.54) BRS3AGTR1AGTR2LTB4R2MME
SCHEMBL9553732 0.94 AGTR1 (0.51) BRS3AGTR1AGTR2LTB4R2MME
SCHEMBL9552538 0.93 AGTR1 (0.51) BRS3AGTR1AGTR2LTB4R2MME
SCHEMBL9553248 0.93 BRS3 (0.51) BRS3AGTR1AGTR2LTB4R2MME
SCHEMBL9552244 0.90 BRS3 (0.49) BRS3AGTR1AGTR2LTB4R2MME
SCHEMBL7336476 0.89 BRS3 (0.45) BRS3AGTR1AGTR2LTB4R2MME
SCHEMBL7343671 0.89 BRS3 (0.46) BRS3AGTR1AGTR2LTB4R2MME
SCHEMBL7343001 0.88 LTB4R2 (0.41) BRS3AGTR1AGTR2LTB4R2PPARG
SCHEMBL9552134 0.88 BRS3 (0.47) BRS3AGTR1AGTR2LTB4R2
SCHEMBL7339891 0.88 BRS3 (0.40) BRS3AGTR1AGTR2LTB4R2MME

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