SCHEMBL8068044

SCHEMBL8068044

N=C(N)NCCC[C@@H](NC(CO)c1ccccc1)C(=O)NC(=O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 6/20 0.41
▸ CNR2 P34972 5/20 0.40
▸ EPHX2 P34913 2/20 0.40
▸ NPY1R P25929 6/20 0.38
▸ C3AR1 Q16581 1/20 0.38
▸ NPY5R Q15761 2/20 0.37
▸ NPY4R P50391 2/20 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
SCHEMBL8612664 0.84 CNR1 (0.44) CNR1CNR2NPY1RC3AR1NPY5R
SCHEMBL8119401 0.82 CNR1 (0.48) CNR1CNR2NPY1RC3AR1
SCHEMBL8120358 0.82 CNR1 (0.51) CNR1CNR2C3AR1
SCHEMBL3817640 0.81 NPY1R (0.51) CNR1CNR2NPY1RNPY5RNPY4R
SCHEMBL1388522 0.80 CNR1 (0.47) CNR1CNR2
SCHEMBL5057899 0.78 NPY1R (0.53) NPY1RNPY5RNPY4R
SCHEMBL1388524 0.78 NPY1R (0.49) CNR1CNR2NPY1RC3AR1NPY5R
SCHEMBL5317095 0.78 NPY1R (0.49) CNR1CNR2NPY1RC3AR1NPY5R
SCHEMBL1388313 0.77 NPY1R (0.44) CNR1NPY1RNPY5RNPY4R
SCHEMBL4652031 0.77 NPY1R (0.48) CNR1CNR2NPY1RNPY5RNPY4R

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
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