SCHEMBL9543464

SCHEMBL9543464

COC(=O)C1CCCN1C(=O)[C@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.52
UCHL1 P09936 2/20 0.52
OPRD1 P41143 1/20 0.51
HDAC8 Q9BY41 1/20 0.46
KLK5 Q9Y337 1/20 0.46
NPC1 O15118 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KLK7 P49862 1/20 0.44
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NAMPT P43490 1/20 0.44
EPHX2 P34913 1/20 0.43

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
SCHEMBL9543472 1.00 PTPN1 (0.52) PTPN1UCHL1OPRD1HDAC8KLK5
SCHEMBL9543253 1.00 PTPN1 (0.52) PTPN1UCHL1OPRD1HDAC8KLK5
SCHEMBL27726216 0.92 UCHL1 (0.54) PTPN1UCHL1OPRD1HDAC8NPC1
SCHEMBL7988510 0.88 UCHL1 (0.52) UCHL1OPRD1HDAC8NPC1MEN1
SCHEMBL29443079 0.86 PTPN1 (0.65) PTPN1HDAC8NAMPT
SCHEMBL21490343 0.86 PTPN1 (0.65) PTPN1HDAC8NAMPT
SCHEMBL2737917 0.86 PTPN1 (0.65) PTPN1HDAC8NAMPT
SCHEMBL30581944 0.86 UCHL1 (0.52) UCHL1OPRD1NPC1MEN1KMT2A
SCHEMBL9545314 0.85 OPRD1 (0.55) PTPN1UCHL1OPRD1KLK5NPC1
SCHEMBL9543858 0.85 OPRD1 (0.55) PTPN1UCHL1OPRD1KLK5NPC1

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
WO-1993020099-A2 CCK AND/OR GASTRIN RECEPTOR LIGANDS FERRING B.V. (NL) 1993-10-14 WO disclosed