SCHEMBL7601622

SCHEMBL7601622

COc1ccc([C@@H](C2CC2)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 5/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
ACHE P22303 1/20 0.42
DPP8 Q6V1X1 3/20 0.41
DPP7 Q9UHL4 3/20 0.41
DPP4 P27487 2/20 0.41
DPP9 Q86TI2 2/20 0.41
ATM Q13315 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
HTT P42858 1/20 0.39
SLC1A3 P43003 1/20 0.38
SLC1A1 P43005 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
SCHEMBL7600372 0.90 CA1 (0.39) FOLH1CA1CA2ACHEDPP8
SCHEMBL7600355 0.89 CA1 (0.45) FOLH1CA1CA2ACHEDPP8
SCHEMBL7597929 0.89 CA1 (0.45) FOLH1CA1CA2ACHEDPP8
SCHEMBL7595770 0.88 CNR1 (0.43) CNR1CNR2
SCHEMBL7596349 0.87 TPSAB1 (0.44) FOLH1CA1CA2ACHEDPP8
SCHEMBL7595801 0.87 FOLH1 (0.43) FOLH1CA1CA2ACHEDPP8
SCHEMBL7600358 0.87 FOLH1 (0.43) FOLH1CA1CA2ACHEDPP8
SCHEMBL7600868 0.83 FOLH1 (0.45) FOLH1DPP8DPP7HTTSLC1A3
Hydrochloric Acid SCHEMBL7595130 0.83 ALDH1A1 (0.40) CNR1CNR2
SCHEMBL7595812 0.83 FOLH1 (0.49) FOLH1DPP8DPP7KEAP1NFE2L2

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