SCHEMBL8063017

SCHEMBL8063017

NC(=O)[C@@H](CCCNC(=NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)N(CCc1ccc(O)cc1)C(=O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 8/20 0.37
FOLH1 Q04609 3/20 0.35
CNR1 P21554 1/20 0.34
NPY4R P50391 1/20 0.34
HTT P42858 1/20 0.34
SLC1A3 P43003 1/20 0.34
SLC1A1 P43005 1/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
NPFFR1 Q9GZQ6 2/20 0.33
NPFFR2 Q9Y5X5 2/20 0.33
NPY5R Q15761 1/20 0.33

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
SCHEMBL8070235 0.99 NPY1R (0.36) NPY1RFOLH1CNR1NPY4RHTT
SCHEMBL8076494 0.95 CNR1 (0.38) NPY1RFOLH1CNR1NPY5R
SCHEMBL8059172 0.94 ATM (0.38) NPY1RFOLH1CNR1
SCHEMBL8071280 0.93 ATM (0.40) FOLH1CNR1
SCHEMBL8069648 0.89 FOLH1 (0.44) FOLH1CNR1HTTSLC1A3SLC1A1
SCHEMBL8068008 0.88 MTNR1A (0.37) FOLH1
SCHEMBL8069819 0.85 MMP2 (0.45) FOLH1HTTSLC1A3SLC1A1
SCHEMBL7600478 0.85 FOLH1 (0.38) NPY1RFOLH1CNR1HTTSLC1A3
SCHEMBL7597915 0.85 FOLH1 (0.38) NPY1RFOLH1CNR1HTTSLC1A3
SCHEMBL8070175 0.84 FOLH1 (0.42) FOLH1CNR1HTTSLC1A3SLC1A1

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