SCHEMBL7597835

SCHEMBL7597835

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.42
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
UTS2R Q9UKP6 1/20 0.40
PLAU P00749 1/20 0.39
HTT P42858 2/20 0.39
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 3/20 0.39
NPY1R P25929 2/20 0.39
SLC1A3 P43003 1/20 0.38
SLC1A1 P43005 1/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPY2R P49146 1/20 0.38
NPY5R Q15761 1/20 0.38
CYP1A2 P05177 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
SCHEMBL7597839 0.88 FOLH1 (0.49) FOLH1HTTSLC1A3SLC1A1LMNA
SCHEMBL7595812 0.88 FOLH1 (0.49) FOLH1HTTSLC1A3SLC1A1LMNA
SCHEMBL7595116 0.86 FOLH1 (0.46) FOLH1HTTSLC1A3SLC1A1LMNA
SCHEMBL7597117 0.86 FOLH1 (0.46) FOLH1HTTSLC1A3SLC1A1LMNA
SCHEMBL7600672 0.86 FOLH1 (0.44) FOLH1HTTSLC1A3SLC1A1LMNA
SCHEMBL7601605 0.86 FOLH1 (0.47) FOLH1MMP2MMP9HTTSLC1A3
SCHEMBL7600359 0.85 FOLH1 (0.45) FOLH1MMP2MMP9HTTSLC1A3
SCHEMBL7600868 0.85 FOLH1 (0.45) FOLH1HTTSLC1A3SLC1A1LMNA
SCHEMBL7600231 0.85 FOLH1 (0.45) FOLH1MMP2MMP9HTTSLC1A3
SCHEMBL7595138 0.85 CYP2C9 (0.44) UTS2RCYP2C9CYP2C19NPY1RALDH1A1

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