SCHEMBL8551883

SCHEMBL8551883

CCCC(=O)N(Cc1ccc(-c2ccccc2C#N)cc1)c1sc(C)cc1C(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 16/20 0.49
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
AGTR1 P30556 1/20 0.39
FFAR1 O14842 1/20 0.38
AKR1B1 P15121 1/20 0.38
OXTR P30559 1/20 0.37
AVPR1A P37288 1/20 0.37
MYC P01106 1/20 0.37
WDR5 P61964 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
SCHEMBL8553480 0.83 LTB4R2 (0.53) LTB4R2AGTR1
SCHEMBL8552360 0.81 LTB4R2 (0.58) LTB4R2AGTR1
SCHEMBL8553533 0.80 LTB4R2 (0.45) LTB4R2AGTR1
SCHEMBL8550972 0.80 LTB4R2 (0.45) LTB4R2AGTR1
SCHEMBL8553595 0.74 LTB4R2 (0.45) LTB4R2KDM4EALDH1A1HPGDAGTR1
SCHEMBL2181 0.72 AGTR1 (0.47) LTB4R2AGTR1FFAR1AKR1B1OXTR
SCHEMBL8552462 0.72 LTB4R2 (0.49) LTB4R2AGTR1
SCHEMBL8549165 0.71 LTB4R2 (0.48) LTB4R2AGTR1
SCHEMBL20183666 0.71 LTB4R2 (0.72) LTB4R2AGTR1
SCHEMBL8552364 0.71 LTB4R2 (0.44) LTB4R2KDM4EALDH1A1HPGDCRHBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0588299-B1 1,2,4-Oxadiazolyl- or 1,2,4-thiadiazolyl-biphenyl derivatives as angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-07-01 EP disclosed
EP-0829479-A1 Heterocyclic compounds and their use as angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-18 EP disclosed
US-5500427-A ANGIOTENSIN II ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-03-19 US disclosed
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