SCHEMBL9409300

SCHEMBL9409300

CCCC(=O)N(Cc1ccc(-c2ccccc2N2NOC=C2C2=CCOC2)cc1)c1sc(C)cc1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 20/20 0.42
AGTR1 P30556 1/20 0.37

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
SCHEMBL8549165 0.71 LTB4R2 (0.48) LTB4R2AGTR1
SCHEMBL8552462 0.70 LTB4R2 (0.49) LTB4R2AGTR1
SCHEMBL9409298 0.67 LTB4R2 (0.43) LTB4R2AGTR1
SCHEMBL8551883 0.66 LTB4R2 (0.49) LTB4R2AGTR1
SCHEMBL8553480 0.63 LTB4R2 (0.53) LTB4R2AGTR1
SCHEMBL8550972 0.63 LTB4R2 (0.45) LTB4R2AGTR1
SCHEMBL8553533 0.62 LTB4R2 (0.45) LTB4R2AGTR1
SCHEMBL3126345 0.56 LTB4R2 (1.00) LTB4R2AGTR1
SCHEMBL31432650 0.56 LTB4R2 (1.00) LTB4R2AGTR1
SCHEMBL17158389 0.56 LTB4R2 (0.83) LTB4R2AGTR1

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
EP-0588299-A2 1,2,4-Oxadiazolyl- or 1,2,4-thiadiazolyl-biphenyl derivatives as angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-03-23 EP disclosed