SCHEMBL9544368

SCHEMBL9544368

CC(C)(C)OC(=O)N[C@H](C(=O)N1Cc2ccccc2C[C@@H]1CC(=O)O)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.44
DRD2 P14416 3/20 0.43
DPP8 Q6V1X1 2/20 0.41
OPRD1 P41143 4/20 0.40
OPRM1 P35372 2/20 0.40
OPRK1 P41145 1/20 0.40
ATM Q13315 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ACE P12821 1/20 0.39
ELANE P08246 1/20 0.39
CXCR3 P49682 1/20 0.38
DPP4 P27487 1/20 0.38
DPP9 Q86TI2 1/20 0.38
DPP7 Q9UHL4 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
SCHEMBL9544371 1.00 CTSL (0.44) CTSLDRD2DPP8OPRD1OPRM1
SCHEMBL9543837 0.84 ELANE (0.47) DRD2OPRD1OPRM1OPRK1ATM
SCHEMBL9544383 0.83 FNTA (0.46) CTSLKMT2AELANE
SCHEMBL9544085 0.83 CTSS (0.48) DRD2OPRD1OPRM1OPRK1ATM
SCHEMBL9544089 0.83 CTSS (0.48) DRD2OPRD1OPRM1OPRK1ATM
SCHEMBL9544378 0.83 FNTA (0.46) CTSLKMT2AELANE
SCHEMBL9545046 0.80 FNTA (0.41) DRD2OPRD1OPRM1OPRK1ATM
SCHEMBL9545049 0.80 FNTA (0.41) DRD2OPRD1OPRM1OPRK1ATM
SCHEMBL9544919 0.80 HDAC3 (0.48) DRD2OPRD1OPRM1OPRK1KMT2A
SCHEMBL9544910 0.80 HDAC3 (0.48) DRD2OPRD1OPRM1OPRK1KMT2A

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