SCHEMBL8262500

SCHEMBL8262500

CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nnn(COC(=O)OCCCON(O)O)n2)cc1)[C@H](C(=O)O)C(C)C

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 16/20 0.59
LTB4R2 Q9NPC1 5/20 0.59
ABCB11 O95342 1/20 0.59
GP6 Q9HCN6 1/20 0.59
AGTR2 P50052 4/20 0.38

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
SCHEMBL8262298 0.99 AGTR1 (0.59) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL8262502 0.98 AGTR1 (0.59) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL8262300 0.94 AGTR1 (0.56) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL8263416 0.93 AGTR1 (0.55) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL8263421 0.92 AGTR1 (0.57) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL8263671 0.90 AGTR1 (0.53) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL8263417 0.90 AGTR1 (0.56) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL8263240 0.89 AGTR1 (0.53) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL8262508 0.89 AGTR1 (0.55) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL8262494 0.89 AGTR1 (0.58) AGTR1LTB4R2ABCB11GP6AGTR2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006079610-A1 NITROOXY SARTAN DERIVATIVES AS ANGIOTENSIN II RECEPTOR BLOCKERS FOR THE TREATMENT OF CARDIOVASCULAR AND INFLAMMATORY DISEASES NICOX S.A. (FR) 2006-08-03 WO disclosed