SCHEMBL8068045

SCHEMBL8068045

N=C(N)NCCC[C@H](C(N)=O)N(CCc1ccc(OCc2ccccc2)cc1)C(=O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EPOR P19235 13/20 0.43
ALOX5 P09917 3/20 0.41
LTB4R Q15722 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.40

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
SCHEMBL1388287 0.91 CNR1 (0.45)
SCHEMBL8068011 0.90 MAPT (0.43) EPORALOX5
SCHEMBL8069613 0.90 PLAAT3 (0.38) EPOR
SCHEMBL8058871 0.89 ALDH1A1 (0.42) ALOX5
SCHEMBL1718512 0.89 NPY1R (0.42)
SCHEMBL8059066 0.86 CNR1 (0.47)
SCHEMBL8069325 0.86 CNR1 (0.39)
SCHEMBL8069355 0.86 CNR1 (0.47)
SCHEMBL8073040 0.85 NPY1R (0.41)
SCHEMBL9194825 0.84 ALDH1A1 (0.42) ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1017672-A1 NEW NPY ANTAGONISTS AstraZeneca AB (SE) 2000-07-12 EP disclosed
WO-1999015498-A1 NEW NPY ANTAGONISTS ASTRAZENECA AB (SE) 1999-04-01 WO disclosed