SCHEMBL8548947

SCHEMBL8548947

CCCCC(=O)[N+](C)(c1ccc(-c2ccccc2C(=N)NO)cc1)c1sccc1C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 5/20 0.41
BDKRB1 P46663 3/20 0.39
SLC6A3 Q01959 4/20 0.38
SLC6A4 P31645 3/20 0.36
ACHE P22303 1/20 0.34
AGTR1 P30556 2/20 0.34
AGTR2 P50052 1/20 0.34
SLC6A2 P23975 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX12 P18054 1/20 0.33
KMT2A Q03164 1/20 0.33
TLR8 Q9NR97 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL8944237 0.75 LTB4R2 (0.62) LTB4R2AGTR1
SCHEMBL8944228 0.68 KDM4E (0.42) LTB4R2BDKRB1SLC6A3SLC6A4AGTR1
SCHEMBL13356516 0.63 LTB4R2 (0.54) LTB4R2BDKRB1SLC6A3SLC6A4AGTR1
SCHEMBL8553480 0.63 LTB4R2 (0.53) LTB4R2BDKRB1AGTR1AGTR2
SCHEMBL30480719 0.62 KDM4E (0.56) SLC6A3SLC6A4ALDH1A1KMT2AKDM4E
SCHEMBL9140079 0.61 LTB4R2 (0.52) LTB4R2BDKRB1SLC6A3SLC6A4ACHE
SCHEMBL9808846 0.61 LTB4R2 (0.60) LTB4R2BDKRB1SLC6A3SLC6A4ACHE
SCHEMBL29979869 0.60 SLC6A3 (0.69) LTB4R2BDKRB1SLC6A3SLC6A4ACHE
SCHEMBL14326964 0.60 SLC6A3 (0.69) LTB4R2BDKRB1SLC6A3SLC6A4ACHE
SCHEMBL3126983 0.60 LTB4R2 (0.79) 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 3 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
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