SCHEMBL8058852

SCHEMBL8058852

COc1cccc(CCN(C(=O)OC(C)(C)C)[C@H](CCCNC(=O)OCc2ccccc2)C(N)=O)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 2/20 0.43
TPSD1 Q9BZJ3 2/20 0.43
TPSG1 Q9NRR2 2/20 0.43
MAPT P10636 1/20 0.43
FOLH1 Q04609 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
PSMB5 P28074 1/20 0.40
CACNA1B Q00975 1/20 0.39
EPOR P19235 1/20 0.39
HTT P42858 1/20 0.39
POLB P06746 2/20 0.39
ALDH1A1 P00352 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
SCHEMBL8073042 0.92 TPSAB1 (0.44) TPSAB1TPSD1TPSG1MAPTFOLH1
SCHEMBL8068255 0.88 TPSAB1 (0.46) TPSAB1TPSD1TPSG1MAPTFOLH1
SCHEMBL8068125 0.86 FOLH1 (0.42) FOLH1MTNR1AMTNR1BPSMB5EPOR
SCHEMBL7598385 0.83 TRPM8 (0.44) TPSAB1TPSD1TPSG1MAPTFOLH1
SCHEMBL8069618 0.82 CTSS (0.42) TPSAB1TPSD1TPSG1MAPTFOLH1
SCHEMBL21460902 0.82 MAPT (0.51) TPSAB1TPSD1TPSG1MAPTFOLH1
SCHEMBL21460905 0.82 MAPT (0.51) TPSAB1TPSD1TPSG1MAPTFOLH1
SCHEMBL15802598 0.80 MAPT (0.46) TPSAB1TPSD1TPSG1MAPTFOLH1
SCHEMBL7594433 0.79 TPSAB1 (0.45) TPSAB1TPSD1TPSG1MAPTFOLH1
SCHEMBL7598318 0.79 TPSAB1 (0.45) TPSAB1TPSD1TPSG1MAPTFOLH1

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-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