SCHEMBL5489331

SCHEMBL5489331

CC(C)[C@H](NC(=O)[C@@H]1CCCN1)C(=O)C1NCCS1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 1/20 0.41
PRCP P42785 2/20 0.37
CTSC P53634 3/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
TLR2 O60603 2/20 0.33
SCN4A P35499 1/20 0.32

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
SCHEMBL5489340 1.00 DPP7 (0.41) DPP7PRCPCTSCCYP3A4CYP2D6
SCHEMBL5494046 0.88 DPP7 (0.44) DPP7PRCPCTSCCYP3A4CYP2D6
SCHEMBL5494049 0.88 DPP7 (0.44) DPP7PRCPCTSCCYP3A4CYP2D6
SCHEMBL5495019 0.80 SMN1; SMN2 (0.35)
SCHEMBL5495013 0.80 SMN1; SMN2 (0.35)
SCHEMBL16853543 0.80 DPP7 (0.49) DPP7PRCPCTSCCYP3A4CYP2D6
SCHEMBL30729269 0.79 DPP7 (0.48) DPP7PRCPCTSCCYP3A4CYP2D6
SCHEMBL10537153 0.79 DPP7 (0.48) DPP7PRCPCTSCCYP3A4CYP2D6
SCHEMBL30729221 0.79 DPP7 (0.48) DPP7PRCPCTSCCYP3A4CYP2D6
SCHEMBL6401404 0.79 DPP7 (0.48) DPP7PRCPCTSCCYP3A4CYP2D6

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
US-7166579-B2 Prodrugs of DP IV-inhibitors PROSIDION LIMITED (GB) 2007-01-23 US claimed