SCHEMBL7600261

SCHEMBL7600261

C[C@@H](N[C@H](CCCNC(=NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)C(N)=O)c1ccc(O)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.44
CTSL P07711 1/20 0.40
SIRT5 Q9NXA8 1/20 0.39
CPB1 P15086 1/20 0.39
CPB2 Q96IY4 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
FOLH1 Q04609 2/20 0.39
NPY1R P25929 2/20 0.39
NPY5R Q15761 1/20 0.39
HTT P42858 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 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
Hydrochloric Acid SCHEMBL7595781 0.99 SIRT2 (0.43) SIRT2CTSLSIRT5CPB1CPB2
Hydrochloric Acid SCHEMBL7596809 0.88 SIRT2 (0.48) SIRT2CPB1CPB2MMP2MMP9
Hydrochloric Acid SCHEMBL7600885 0.88 SIRT2 (0.48) SIRT2CPB1CPB2MMP2MMP9
SCHEMBL8068262 0.85 SIRT2 (0.43) SIRT2CTSLSIRT5MMP2MMP9
Hydrochloric Acid SCHEMBL7597311 0.84 MMP2 (0.52) SIRT2CPB1CPB2MMP2MMP9
Hydrochloric Acid SCHEMBL8072552 0.84 SIRT2 (0.42) SIRT2CTSLSIRT5MMP2MMP9
SCHEMBL7600478 0.81 FOLH1 (0.38) SIRT2CTSLFOLH1NPY1RNPY5R
SCHEMBL7597915 0.81 FOLH1 (0.38) SIRT2CTSLFOLH1NPY1RNPY5R
Hydrochloric Acid SCHEMBL7596698 0.81 MMP2 (0.52) SIRT2CPB1CPB2MMP2MMP9
Hydrochloric Acid SCHEMBL7595151 0.81 MMP2 (0.52) SIRT2CPB1CPB2MMP2MMP9

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