SCHEMBL8526876

SCHEMBL8526876

NC(=O)NCc1ccc(CN(C(=O)C(c2ccccc2)c2ccccc2)[C@H](CCCNC(=O)OCc2ccccc2)C(N)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 5/20 0.43
PLAU P00749 1/20 0.43
HTT P42858 1/20 0.43
SLC1A3 P43003 1/20 0.42
SLC1A1 P43005 1/20 0.42
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGAV P06756 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
TGM2 P21980 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPY1R P25929 2/20 0.39
NPY4R P50391 2/20 0.39
NPY5R Q15761 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39

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
SCHEMBL8120934 0.94 HTT (0.48) FOLH1HTTSLC1A3SLC1A1DPP8
SCHEMBL8112045 0.92 FOLH1 (0.45) FOLH1HTTSLC1A3SLC1A1DPP8
SCHEMBL8126814 0.89 FOLH1 (0.48) FOLH1HTTSLC1A3SLC1A1DPP8
SCHEMBL8114425 0.89 ATM (0.46) FOLH1HTTSLC1A3SLC1A1
SCHEMBL6899868 0.86 NPY1R (0.42) NPY1RNPY4RNPY5R
SCHEMBL7059809 0.86 NPY1R (0.42) NPY1RNPY4RNPY5R
SCHEMBL8527836 0.85 NPY1R (0.43) NPY1RNPY4RNPY5R
SCHEMBL8119315 0.84 NPY1R (0.42) NPY1RNPY4RNPY5R
SCHEMBL8072950 0.83 FOLH1 (0.46) FOLH1HTTSLC1A3SLC1A1DPP8
SCHEMBL8069648 0.83 FOLH1 (0.44) FOLH1HTTSLC1A3SLC1A1DPP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0885186-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM Dr. Karl Thomae GmbH (DE) 1998-12-23 EP disclosed
WO-1997019911-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM DR. KARL THOMAE GMBH (DE) 1997-06-05 WO disclosed