SCHEMBL9728206

SCHEMBL9728206

CN1CCN(C(=O)N[C@H](C=O)CCCCN)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
CTSL P07711 2/20 0.36
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
CTSK P43235 4/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
DPP7 Q9UHL4 5/20 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
KDM4E B2RXH2 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
TPSAB1 Q15661 1/20 0.33
TPSD1 Q9BZJ3 1/20 0.33
TPSG1 Q9NRR2 1/20 0.33

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
SCHEMBL9728158 0.83 PKM (0.45) HTTCTSLCTSKCTSBCTSS
SCHEMBL9728204 0.78 ALDH1A1 (0.35) HTTALDH1A1POLBCTSSDPP7
SCHEMBL9728202 0.78 ALDH1A1 (0.35) HTTALDH1A1POLBCTSSDPP7
SCHEMBL1328599 0.74 SIRT6 (0.44) CTSKDPP7DPP8DPP9
SCHEMBL10421632 0.71 GSR (0.38) CTSLCTSKCTSBDPP7DPP8
SCHEMBL13128069 0.71 GSR (0.38) CTSLCTSKCTSBDPP7DPP8
SCHEMBL13049054 0.70 CTSK (0.43) CTSK
SCHEMBL22297887 0.69 CTSK (0.38) CTSLCTSKCTSBDPP7DPP8
SCHEMBL20333850 0.69 CTSK (0.43) CTSLCTSKCTSBDPP7DPP8
SCHEMBL26016842 0.69 KDM4E (0.43) HTTALDH1A1POLBMEN1KMT2A

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