SCHEMBL7600358

SCHEMBL7600358

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 4/20 0.43
ATM Q13315 2/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
ACHE P22303 1/20 0.41
HTT P42858 1/20 0.40
SLC1A3 P43003 1/20 0.39
SLC1A1 P43005 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP7 Q9UHL4 1/20 0.38

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
SCHEMBL7595801 1.00 FOLH1 (0.43) FOLH1ATMCNR1CNR2CA1
SCHEMBL7600933 0.93 FOLH1 (0.46) FOLH1HTTSLC1A3SLC1A1DPP8
SCHEMBL7598858 0.93 FOLH1 (0.46) FOLH1HTTSLC1A3SLC1A1DPP8
SCHEMBL7600355 0.91 CA1 (0.45) FOLH1ATMCNR1CNR2CA1
SCHEMBL7597929 0.91 CA1 (0.45) FOLH1ATMCNR1CNR2CA1
SCHEMBL7596771 0.90 CA1 (0.38) FOLH1ATMCNR1CNR2CA1
SCHEMBL7595281 0.88 TPSAB1 (0.44) FOLH1ATMCA1CA2ACHE
SCHEMBL7594719 0.88 TPSAB1 (0.44) FOLH1ATMCA1CA2ACHE
SCHEMBL7594445 0.87 CNR1 (0.44) ATMCNR1CNR2OPRM1OPRD1
SCHEMBL7595122 0.87 CNR1 (0.44) ATMCNR1CNR2OPRM1OPRD1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1017672-B1 NEW NPY ANTAGONISTS ASTRAZENECA AB (SE) 2002-11-27 EP disclosed