SCHEMBL7600372

SCHEMBL7600372

COc1ccc([C@@H](C2CC2)N(C(=O)C(c2ccccc2)c2ccccc2)[C@H](CCCNC(=NC(=O)OCc2ccccc2)NC(=O)OCc2ccccc2)C(N)=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
ACHE P22303 1/20 0.39
ATM Q13315 1/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
FOLH1 Q04609 2/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
CYP3A4 P08684 2/20 0.34
DPP4 P27487 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
SCHEMBL7599024 0.91 CA1 (0.42) CA1CA2ACHEATMHDAC1
SCHEMBL7595006 0.91 CA1 (0.42) CA1CA2ACHEATMHDAC1
SCHEMBL7601622 0.90 FOLH1 (0.43) CA1CA2ACHEATMFOLH1
SCHEMBL7596771 0.89 CA1 (0.38) CA1CA2ACHEATMHDAC1
SCHEMBL7601629 0.85 FOLH1 (0.40) FOLH1CYP3A4SIRT2
SCHEMBL7597936 0.85 FOLH1 (0.40) FOLH1CYP3A4SIRT2
SCHEMBL7600882 0.84 TRPM8 (0.41) CA1CA2ACHEHDAC1HDAC6
SCHEMBL7600478 0.84 FOLH1 (0.38) FOLH1CNR1CNR2SIRT2
SCHEMBL7597915 0.84 FOLH1 (0.38) FOLH1CNR1CNR2SIRT2
SCHEMBL8071280 0.83 ATM (0.40) CA1CA2ACHEATMHDAC1

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

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