SCHEMBL7600973

SCHEMBL7600973

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

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
FOLH1 Q04609 3/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
CTSK P43235 1/20 0.35
TP53 P04637 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
NPY1R P25929 2/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
TPSAB1 Q15661 1/20 0.33

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
SCHEMBL7597915 0.95 FOLH1 (0.38) FOLH1CNR1CNR2CTSKMEN1
SCHEMBL7600478 0.95 FOLH1 (0.38) FOLH1CNR1CNR2CTSKMEN1
SCHEMBL7597936 0.92 FOLH1 (0.40) FOLH1MEN1LMNAKMT2ASIRT2
SCHEMBL7601629 0.92 FOLH1 (0.40) FOLH1MEN1LMNAKMT2ASIRT2
SCHEMBL7599024 0.89 CA1 (0.42) FOLH1CNR1CNR2CTSKTP53
SCHEMBL7595006 0.89 CA1 (0.42) FOLH1CNR1CNR2CTSKTP53
SCHEMBL8076494 0.87 CNR1 (0.38) MMP2MMP9FOLH1CNR1CNR2
SCHEMBL7595775 0.87 MMP2 (0.35) MMP2MMP9FOLH1CTSKTP53
SCHEMBL7600882 0.85 TRPM8 (0.41) FOLH1MEN1KMT2A
SCHEMBL7595300 0.85 TPSAB1 (0.39) FOLH1MEN1KMT2ASIRT2TPSAB1

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