SCHEMBL8068280

SCHEMBL8068280

COc1ccc(CCN(C(=O)C(c2ccccc2)c2ccccc2)[C@H](CCCNC(=O)OCc2ccccc2)C(N)=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.45
FOLH1 Q04609 3/20 0.43
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
SLC1A3 P43003 1/20 0.40
SLC1A1 P43005 1/20 0.40
GLA P06280 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
ACHE P22303 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
CHRNB2 P17787 1/20 0.39

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
SCHEMBL8070260 0.92 FOLH1 (0.42) FOLH1HTTMAPTL3MBTL1SLC1A3
SCHEMBL8068011 0.92 MAPT (0.43) FOLH1HTTMAPTL3MBTL1SLC1A3
SCHEMBL8068125 0.92 FOLH1 (0.42) FOLH1NPC1RAB9AHTTKMT2A
SCHEMBL8114425 0.91 ATM (0.46) ATMFOLH1HTTMAPTL3MBTL1
SCHEMBL8069648 0.91 FOLH1 (0.44) FOLH1HTTSLC1A3SLC1A1CNR1
SCHEMBL8069819 0.91 MMP2 (0.45) FOLH1HTTSLC1A3SLC1A1
SCHEMBL8071280 0.90 ATM (0.40) ATMFOLH1NPC1GAARAB9A
SCHEMBL8070175 0.90 FOLH1 (0.42) FOLH1HTTSLC1A3SLC1A1CNR1
SCHEMBL8069625 0.90 PSMB5 (0.44) ATMFOLH1HTTSLC1A3SLC1A1
SCHEMBL8072950 0.89 FOLH1 (0.46) FOLH1HTTSLC1A3SLC1A1CNR1

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