SCHEMBL9552103

SCHEMBL9552103

CCCCCn1nc(CCC2CCCCC2)nc1Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 11/20 0.51
AGTR2 P50052 10/20 0.51
BRS3 P32247 1/20 0.49
LTB4R2 Q9NPC1 1/20 0.48

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
SCHEMBL9553291 0.99 AGTR1 (0.51) AGTR1AGTR2BRS3LTB4R2
SCHEMBL9553732 0.92 AGTR1 (0.51) AGTR1AGTR2BRS3LTB4R2
SCHEMBL9552538 0.92 AGTR1 (0.51) AGTR1AGTR2BRS3LTB4R2
SCHEMBL9553102 0.91 BRS3 (0.52) AGTR1AGTR2BRS3LTB4R2
SCHEMBL7332326 0.90 BRS3 (0.44) AGTR1AGTR2BRS3
SCHEMBL7341799 0.90 BRS3 (0.46) AGTR1AGTR2BRS3
SCHEMBL9552127 0.90 AGTR1 (0.54) AGTR1AGTR2BRS3LTB4R2
SCHEMBL7334298 0.90 LTB4R2 (0.41) AGTR1AGTR2BRS3LTB4R2
SCHEMBL7345320 0.90 AGTR1 (0.40) AGTR1AGTR2BRS3LTB4R2
SCHEMBL8177702 0.88 AGTR1 (0.39) 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