SCHEMBL9552127

SCHEMBL9552127

CCCCn1nc(CC2CCCCC2)nc1Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 8/20 0.54
AGTR2 P50052 5/20 0.54
LTB4R2 Q9NPC1 1/20 0.51
BRS3 P32247 4/20 0.48
MME P08473 1/20 0.47

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
SCHEMBL9553732 0.97 AGTR1 (0.51) AGTR1AGTR2LTB4R2BRS3MME
SCHEMBL9552538 0.96 AGTR1 (0.51) AGTR1AGTR2LTB4R2BRS3MME
SCHEMBL9552249 0.95 BRS3 (0.49) AGTR1AGTR2LTB4R2BRS3MME
SCHEMBL9553248 0.91 BRS3 (0.51) AGTR1AGTR2LTB4R2BRS3MME
SCHEMBL7332250 0.90 AGTR1 (0.45) AGTR1AGTR2LTB4R2BRS3MME
SCHEMBL9552103 0.90 AGTR1 (0.51) AGTR1AGTR2LTB4R2BRS3
SCHEMBL7334786 0.90 AGTR1 (0.47) AGTR1AGTR2LTB4R2BRS3MME
SCHEMBL9553291 0.89 AGTR1 (0.51) AGTR1AGTR2LTB4R2BRS3
SCHEMBL7336093 0.89 AGTR1 (0.42) AGTR1AGTR2LTB4R2BRS3MME
SCHEMBL7334773 0.89 LTB4R2 (0.43) AGTR1AGTR2LTB4R2BRS3MME

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