SCHEMBL8073040

SCHEMBL8073040

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

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 5/20 0.41
NPY4R P50391 2/20 0.41
NPY5R Q15761 1/20 0.41
TPSAB1 Q15661 2/20 0.39
CNR1 P21554 1/20 0.38
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.35
MASP2 O00187 1/20 0.35
F2 P00734 1/20 0.35
EPHX2 P34913 1/20 0.35

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 0.92 CNR1 (0.45) CNR1EPHX2
SCHEMBL8059173 0.91 CYP2C9 (0.44) NPY1RNPY5RCNR1MEN1KMT2A
SCHEMBL1718512 0.90 NPY1R (0.42) NPY1RNPY4RNPY5RCNR1
SCHEMBL6899868 0.90 NPY1R (0.42) NPY1RNPY4RNPY5RTPSAB1CNR1
SCHEMBL7059809 0.90 NPY1R (0.42) NPY1RNPY4RNPY5RTPSAB1CNR1
SCHEMBL8059066 0.90 CNR1 (0.47) NPY1RCNR1MEN1KMT2A
SCHEMBL8069325 0.90 CNR1 (0.39) NPY1RTPSAB1CNR1
SCHEMBL8527114 0.89 NPY1R (0.41) NPY1RNPY4RNPY5RTPSAB1MEN1
SCHEMBL8069613 0.88 PLAAT3 (0.38) NPY1RNPY5RCNR1EPHX2
Hydrochloric Acid SCHEMBL8069315 0.87 NPY1R (0.43) NPY1RNPY4RNPY5RMEN1KMT2A

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