SCHEMBL8069613

SCHEMBL8069613

N=C(N)NCCC[C@H](C(N)=O)N(CCc1ccc(Oc2ccccc2)cc1)C(=O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLAAT3 P53816 2/20 0.38
PLAAT5 Q96KN8 2/20 0.38
PLAAT2 Q9NWW9 2/20 0.38
PLAAT4 Q9UL19 2/20 0.38
CNR1 P21554 3/20 0.38
NPY5R Q15761 1/20 0.36
EPHX2 P34913 4/20 0.36
LTA4H P09960 3/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
NPY1R P25929 1/20 0.36
FFAR1 O14842 1/20 0.36
MMP12 P39900 1/20 0.35
MMP13 P45452 1/20 0.35
F10 P00742 1/20 0.35
PRSS1 P07477 1/20 0.35
EPOR P19235 1/20 0.35
CNR2 P34972 2/20 0.34

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
SCHEMBL8058871 0.92 ALDH1A1 (0.42) PLAAT3PLAAT5PLAAT2PLAAT4CNR1
SCHEMBL1388287 0.91 CNR1 (0.45) CNR1EPHX2F10PRSS1CNR2
SCHEMBL8068045 0.90 EPOR (0.43) EPOR
SCHEMBL1718512 0.90 NPY1R (0.42) CNR1NPY5RNPY1RCNR2
SCHEMBL8069325 0.89 CNR1 (0.39) CNR1NPY1RF10PRSS1CNR2
SCHEMBL8059066 0.89 CNR1 (0.47) PLAAT3PLAAT5PLAAT2PLAAT4CNR1
SCHEMBL8073040 0.88 NPY1R (0.41) CNR1NPY5REPHX2NPY1R
SCHEMBL8070260 0.88 FOLH1 (0.42) PLAAT3PLAAT5PLAAT2PLAAT4CNR1
SCHEMBL8069355 0.86 CNR1 (0.47) CNR1EPHX2F10PRSS1CNR2
SCHEMBL9194825 0.86 ALDH1A1 (0.42) PLAAT3PLAAT5PLAAT2PLAAT4CNR1

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