SCHEMBL7600355

SCHEMBL7600355

COc1ccc([C@@H](C)N(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
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
ACHE P22303 1/20 0.45
FOLH1 Q04609 4/20 0.44
ATM Q13315 1/20 0.44
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
HTT P42858 1/20 0.42
SLC1A3 P43003 1/20 0.41
SLC1A1 P43005 1/20 0.41
CTSL P07711 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
ALOX5 P09917 1/20 0.40
DPP4 P27487 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL7597929 1.00 CA1 (0.45) CA1CA2ACHEFOLH1ATM
SCHEMBL7600868 0.94 FOLH1 (0.45) FOLH1HTTSLC1A3SLC1A1CTSS
SCHEMBL7597839 0.94 FOLH1 (0.49) FOLH1HTTSLC1A3SLC1A1DPP8
SCHEMBL7595812 0.94 FOLH1 (0.49) FOLH1HTTSLC1A3SLC1A1DPP8
SCHEMBL7598850 0.93 ALOX5 (0.49) FOLH1HTTALOX5MAPTL3MBTL1
SCHEMBL7600469 0.92 TRPM8 (0.46) FOLH1HTTSLC1A3SLC1A1
SCHEMBL7595116 0.92 FOLH1 (0.46) FOLH1HTTSLC1A3SLC1A1DPP8
SCHEMBL7597117 0.92 FOLH1 (0.46) FOLH1HTTSLC1A3SLC1A1DPP8
SCHEMBL7601605 0.91 FOLH1 (0.47) FOLH1HTTSLC1A3SLC1A1
SCHEMBL7595801 0.91 FOLH1 (0.43) CA1CA2ACHEFOLH1ATM

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