SCHEMBL4215352

SCHEMBL4215352

CC(C)C[C@H](NC(=O)c1ccc(N(C)C)cc1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccncc1

nearest known ligand 0.84

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.84
CTSS P25774 1/20 0.50
PREP P48147 2/20 0.39
FAP Q12884 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
UTS2R Q9UKP6 1/20 0.39
CCR1 P32246 1/20 0.37
POLB P06746 1/20 0.36
CTSB P07858 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
GFER P55789 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
SCHEMBL4040658 1.00 CTSK (0.84) CTSKCTSSPREPFAPDPP8
SCHEMBL4215349 1.00 CTSK (0.84) CTSKCTSSPREPFAPDPP8
SCHEMBL8347125 1.00 CTSK (0.84) CTSKCTSSPREPFAPDPP8
SCHEMBL4040520 0.92 CTSK (0.71) CTSKCTSSPREPFAPDPP8
SCHEMBL4207941 0.92 CTSK (0.87) CTSKCTSSCCR1POLBKDM4E
SCHEMBL5942095 0.92 CTSK (0.87) CTSKCTSSCCR1POLBKDM4E
SCHEMBL4211508 0.92 CTSK (0.87) CTSKCTSSCCR1POLBALDH1A1
SCHEMBL4219737 0.92 CTSK (1.00) CTSKCTSSCCR1CTSBKDM4E
SCHEMBL5942237 0.92 CTSK (0.87) CTSKCTSSCCR1POLBALDH1A1
SCHEMBL4207936 0.92 CTSK (0.87) CTSKCTSSCCR1POLBKDM4E

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-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed