SCHEMBL7516164

SCHEMBL7516164

CCC(C)[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@H]1CCOC1O

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 9/20 0.60
PSMB5 P28074 2/20 0.50
CTSK P43235 3/20 0.45
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CTSS P25774 1/20 0.45
HTT P42858 1/20 0.44
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
REN P00797 1/20 0.39
CTSD P07339 1/20 0.39
CTSE P14091 1/20 0.39
SSTR3 P32745 1/20 0.39

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
SCHEMBL7516176 1.00 CAPN1 (0.60) CAPN1PSMB5CTSKCTSLCTSB
SCHEMBL7518132 0.91 CAPN1 (0.57) CAPN1PSMB5CTSKCTSLCTSB
SCHEMBL7518851 0.88 PSMB5 (0.48) CAPN1PSMB5CTSKCTSLCTSB
SCHEMBL7514127 0.88 PSMB5 (0.48) CAPN1PSMB5CTSKCTSLCTSB
SCHEMBL7517851 0.84 CTSK (0.63) CAPN1CTSKCTSLCTSBCTSS
SCHEMBL7514607 0.80 CAPN1 (0.49) CAPN1CTSKCTSLCTSBCTSS
SCHEMBL7517814 0.78 CAPN1 (0.43) CAPN1PSMB5CTSKCTSLCTSB
SCHEMBL4968070 0.75 CAPN1 (1.00) CAPN1PSMB5GAA
SCHEMBL8810051 0.74 CAPN1 (0.66) CAPN1CTSKCTSLCTSBCTSS
SCHEMBL7515061 0.72 CTSK (0.59) CAPN1CTSKCTSLCTSBCTSS

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
EP-0641800-B1 Lactol derivatives as inhibitors of cathepsin L TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-01-16 EP claimed