SCHEMBL8790914

SCHEMBL8790914

COC(=O)CC1CCN(C(=O)[C@H](C)N)C(C)(C)C1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
DPP4 P27487 3/20 0.31
FAP Q12884 2/20 0.31
DPP7 Q9UHL4 2/20 0.31
PREP P48147 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
LTA4H P09960 1/20 0.31
EPHX1 P07099 1/20 0.30
EPHX2 P34913 1/20 0.30
NR1H2 P55055 1/20 0.30

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
SCHEMBL8791960 0.85 ITGB3 (0.36) DPP4FAPDPP7PREPDPP8
SCHEMBL8791967 0.85 ITGB3 (0.36) DPP4FAPDPP7PREPDPP8
SCHEMBL8790127 0.80 CYP2C19 (0.41) SMN1; SMN2DPP4DPP7PREP
SCHEMBL8790582 0.80 CYP2C19 (0.41) SMN1; SMN2DPP4DPP7PREP
SCHEMBL7360348 0.79 EPHX1 (0.34) BRD4SMN1; SMN2LTA4HEPHX1EPHX2
SCHEMBL19502859 0.74 DPP4 (0.37) DPP4FAPDPP7PREPDPP8
SCHEMBL17282680 0.69 BRD4 (0.44) BRD4NR1H2
SCHEMBL10232806 0.67 BRD4 (0.42) BRD4LTA4H
SCHEMBL15360236 0.67 BRD4 (0.49) BRD4SMN1; SMN2LTA4HEPHX1
SCHEMBL21652403 0.66 BRD4 (0.41) BRD4EPHX1NR1H2

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
EP-0800516-A1 FIBRINOGEN RECEPTOR ANTAGONISTS HAVING SUBSTITUTED (b)-AMINO ACID RESIDUES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME NIPPON STEEL CORPORATION (JP) 1997-10-15 EP disclosed