SCHEMBL4366128

SCHEMBL4366128

CC(C)C[C@H](NC(=O)c1cccc(N2CCNCC2)c1)C(=O)N1CCC2[C@H]1C(=O)CN2C(=O)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.68
CTSS P25774 4/20 0.53
PRMT5 O14744 1/20 0.41
KAT6A Q92794 1/20 0.41
CCR1 P32246 1/20 0.41
CTSL P07711 3/20 0.40
CTSV O60911 2/20 0.40
TLR2 O60603 2/20 0.38
P2RY12 Q9H244 1/20 0.38
CTSB P07858 1/20 0.37

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
SCHEMBL5941438 1.00 CTSK (0.68) CTSKCTSSPRMT5KAT6ACCR1
SCHEMBL4366131 1.00 CTSK (0.68) CTSKCTSSPRMT5KAT6ACCR1
SCHEMBL4366134 1.00 CTSK (0.68) CTSKCTSSPRMT5KAT6ACCR1
SCHEMBL4368915 0.92 CTSK (0.75) CTSKCTSSCCR1CTSLCTSV
SCHEMBL5941816 0.92 CTSK (0.75) CTSKCTSSCCR1CTSLCTSV
SCHEMBL4044020 0.92 CTSK (0.75) CTSKCTSSCCR1CTSLCTSV
SCHEMBL4368912 0.92 CTSK (0.75) CTSKCTSSCCR1CTSLCTSV
SCHEMBL5942080 0.87 CTSK (0.88) CTSKCTSSCCR1CTSLCTSV
SCHEMBL5942073 0.87 CTSK (0.88) CTSKCTSSCCR1CTSLCTSV
SCHEMBL4366565 0.85 CTSK (0.80) CTSKCTSSCCR1CTSLCTSV

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