SCHEMBL9544085

SCHEMBL9544085

CC(C)(C)OC(=O)N[C@H](C(=O)N1Cc2ccccc2C[C@@H]1CC(=O)O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
CXCR3 P49682 8/20 0.43
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
ATM Q13315 1/20 0.41
DRD2 P14416 2/20 0.40

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
SCHEMBL9544089 1.00 CTSS (0.48) CTSSCTSKCXCR3OPRM1OPRD1
SCHEMBL9543837 0.86 ELANE (0.47) CXCR3OPRM1OPRD1OPRK1ATM
SCHEMBL9544378 0.85 FNTA (0.46) CTSK
SCHEMBL9544383 0.85 FNTA (0.46) CTSK
SCHEMBL9545046 0.83 FNTA (0.41) CXCR3OPRM1OPRD1OPRK1ATM
SCHEMBL9544919 0.83 HDAC3 (0.48) CTSSCTSKCXCR3OPRM1OPRD1
SCHEMBL9544910 0.83 HDAC3 (0.48) CTSSCTSKCXCR3OPRM1OPRD1
SCHEMBL9544368 0.83 CTSL (0.44) CXCR3OPRM1OPRD1OPRK1ATM
SCHEMBL9545049 0.83 FNTA (0.41) CXCR3OPRM1OPRD1OPRK1ATM
SCHEMBL9544371 0.83 CTSL (0.44) CXCR3OPRM1OPRD1OPRK1ATM

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