SCHEMBL7517851

SCHEMBL7517851

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

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.63
CTSL P07711 2/20 0.63
CTSB P07858 2/20 0.63
CTSS P25774 2/20 0.63
CAPN1 P07384 14/20 0.59
CAPNS1 P04632 2/20 0.53
CASP1 P29466 1/20 0.50
CASP3 P42574 1/20 0.50
UTS2R Q9UKP6 1/20 0.49

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
SCHEMBL7515061 0.87 CTSK (0.59) CTSKCTSLCTSBCTSSCAPN1
SCHEMBL7514607 0.87 CAPN1 (0.49) CTSKCTSLCTSBCTSSCAPN1
SCHEMBL7518132 0.85 CAPN1 (0.57) CTSKCTSLCTSBCTSSCAPN1
SCHEMBL7516176 0.84 CAPN1 (0.60) CTSKCTSLCTSBCTSSCAPN1
SCHEMBL7516164 0.84 CAPN1 (0.60) CTSKCTSLCTSBCTSSCAPN1
SCHEMBL8812453 0.83 CASP1 (0.72) CTSKCAPN1CAPNS1CASP1CASP3
SCHEMBL8812460 0.83 CASP1 (0.72) CTSKCAPN1CAPNS1CASP1CASP3
SCHEMBL7515201 0.83 CAPN1 (0.59) CTSKCAPN1CAPNS1CASP1CASP3
SCHEMBL8809577 0.82 CAPN1 (0.71) CTSKCTSLCTSBCTSSCAPN1
SCHEMBL8809563 0.82 CAPN1 (0.71) CTSKCTSLCTSBCTSSCAPN1

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 3 patents. 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
US-5496834-A PEPTIDE DERIVATIVES AS CATHEPSIN L INHIBITORS AND INHIBITORS OF BONE RESORPTION OR TREATMENT OF OSTEOPOROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-03-05 US claimed
EP-0641800-B1 Lactol derivatives as inhibitors of cathepsin L TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-01-16 EP disclosed