SCHEMBL9728202

SCHEMBL9728202

CN1CCN(C(=O)NC([C]=O)CCCCN)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
POLB P06746 1/20 0.35
DPP7 Q9UHL4 6/20 0.33
KDM4E B2RXH2 3/20 0.33
DPP8 Q6V1X1 2/20 0.33
DPP9 Q86TI2 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
DPP4 P27487 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
HTT P42858 1/20 0.33
TPSAB1 Q15661 3/20 0.33
TPSD1 Q9BZJ3 3/20 0.33
TPSG1 Q9NRR2 3/20 0.33
EPHX2 P34913 1/20 0.33
CYP1A2 P05177 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CTSS P25774 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
SCHEMBL9728204 1.00 ALDH1A1 (0.35) ALDH1A1POLBDPP7KDM4EDPP8
SCHEMBL9728155 0.83 PKM (0.45) HTTCTSS
SCHEMBL9728206 0.78 HTT (0.36) ALDH1A1POLBDPP7KDM4EDPP8
SCHEMBL1328597 0.74 SIRT6 (0.44) DPP7DPP8DPP9
SCHEMBL1661759 0.74 SIRT6 (0.44) DPP7DPP8DPP9
SCHEMBL8635913 0.72 CTSS (0.44) ALDH1A1MEN1KMT2ATDP1CTSS
SCHEMBL28335157 0.72 GSR (0.44) ALDH1A1DPP7DPP8DPP9MEN1
SCHEMBL27849229 0.71 DPP8 (0.37) DPP7DPP8DPP9DPP4
SCHEMBL5155641 0.71 GSR (0.38) DPP7DPP8DPP9
SCHEMBL5494838 0.71 GSR (0.38) DPP7DPP8DPP9

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-5140009-A Stable against proteolytic enzymes; anticarcinogenic agents; urogenital disorders TAP PHARMACEUTICALS, INC. (US) 1992-08-18 US claimed