SCHEMBL7596771

SCHEMBL7596771

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ACHE P22303 1/20 0.38
ATM Q13315 2/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
HDAC1 Q13547 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
FOLH1 Q04609 2/20 0.35
PLAU P00749 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
BMP1 P13497 1/20 0.34
CTSL P07711 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34

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
SCHEMBL7601084 0.94 FOLH1 (0.37) FOLH1SIRT2
SCHEMBL7597349 0.94 FOLH1 (0.37) FOLH1SIRT2
SCHEMBL7599024 0.92 CA1 (0.42) CA1CA2ACHEATMCNR1
SCHEMBL7595006 0.92 CA1 (0.42) CA1CA2ACHEATMCNR1
SCHEMBL7595801 0.90 FOLH1 (0.43) CA1CA2ACHEATMCNR1
SCHEMBL7600358 0.90 FOLH1 (0.43) CA1CA2ACHEATMCNR1
SCHEMBL7600372 0.89 CA1 (0.39) CA1CA2ACHEATMCNR1
SCHEMBL7601629 0.86 FOLH1 (0.40) FOLH1SIRT2ALDH1A1
SCHEMBL7597936 0.86 FOLH1 (0.40) FOLH1SIRT2ALDH1A1
SCHEMBL7600882 0.85 TRPM8 (0.41) CA1CA2ACHEHDAC1HDAC6

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