SCHEMBL13048815

SCHEMBL13048815

C[C@@H](C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1C(C(=O)O)CN2C(=O)OCc1ccccc1)C1CCCCC1)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.39
HTR2C P28335 1/20 0.37
SLC6A4 P31645 1/20 0.37
CCR5 P51681 1/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
REN P00797 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
AGTR2 P50052 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL2622097 0.94 CTSL (0.40) CTSLHTR2CSLC6A4CCR5CTSB
SCHEMBL2113432 0.94 CTSL (0.40) CTSLHTR2CSLC6A4CCR5CTSB
SCHEMBL2622149 0.93 HSD17B10 (0.39) CTSLHTR2CSLC6A4CCR5CTSB
SCHEMBL2117031 0.93 HSD17B10 (0.39) CTSLHTR2CSLC6A4CCR5CTSB
SCHEMBL2439991 0.90 CTSL (0.42) CTSLHTR2CSLC6A4CCR5L3MBTL1
SCHEMBL12299754 0.90 CTSL (0.42) CTSLHTR2CSLC6A4CCR5L3MBTL1
SCHEMBL17577847 0.90 CTSL (0.38) CTSLHTR2CSLC6A4CCR5CTSB
SCHEMBL13049917 0.87 CTSL (0.51) CTSLAGTR2MAPK1
SCHEMBL23441259 0.83 CTSL (0.44) CTSLHTR2CSLC6A4CTSBCTSS
SCHEMBL23441258 0.83 CTSL (0.44) CTSLHTR2CSLC6A4CTSBCTSS

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-2010138496-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORP. (US) 2010-12-02 WO disclosed