SCHEMBL14436239

SCHEMBL14436239

CCC(N)C(=O)NNC=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 8/20 0.42
DPP9 Q86TI2 6/20 0.42
DPP8 Q6V1X1 5/20 0.42
DPP4 P27487 4/20 0.42
CTSC P53634 5/20 0.36
SLC15A1 P46059 1/20 0.35
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CTSH P09668 1/20 0.33
CYP2D6 P10635 1/20 0.33
CTSK P43235 1/20 0.33
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
USP2 O75604 1/20 0.31
TSHR P16473 1/20 0.31
PMP22 Q01453 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL13850701 0.78 TSHR (0.48) CYP1A2CYP3A4CYP2D6USP2TSHR
SCHEMBL20458836 0.72 DPP4 (0.44) DPP7DPP9DPP8DPP4
SCHEMBL14725064 0.71 SLC15A1 (0.42) DPP7DPP9DPP8DPP4CTSC
SCHEMBL7570955 0.71 SLC15A1 (0.42) DPP7DPP9DPP8DPP4CTSC
SCHEMBL16999949 0.71 DPP9 (0.50) DPP7DPP9DPP8DPP4CTSC
SCHEMBL10076136 0.71 DPP9 (0.50) DPP7DPP9DPP8DPP4CTSC
SCHEMBL15606228 0.71 DPP9 (0.42) DPP7DPP9DPP8DPP4CTSC
SCHEMBL7451192 0.70
SCHEMBL15417545 0.70
SCHEMBL30660250 0.70

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-2007095980-A1 MODIFIED AMINO ACIDS TECHNISCHE UNIVERSITÄT WIEN (AT) 2007-08-30 WO disclosed