SCHEMBL4044197

SCHEMBL4044197

CC(C)CC(NC(=O)c1ccccc1)C(=O)N1CCC2C1C(=O)CN2C(=O)Cc1cccnc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.63
CTSS P25774 3/20 0.47
ACE P12821 2/20 0.46
CCR1 P32246 2/20 0.43
CTSV O60911 2/20 0.41
CTSL P07711 2/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
PREP P48147 2/20 0.40
FAP Q12884 1/20 0.40
LMNA P02545 1/20 0.39
ACE2 Q9BYF1 1/20 0.39
PTAFR P25105 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
SCHEMBL4042794 0.94 CTSK (0.57) CTSKCTSSACECCR1PREP
SCHEMBL4042595 0.93 CTSK (0.57) CTSKCTSSACECCR1CTSL
SCHEMBL4047037 0.93 CTSK (0.56) CTSKCTSSACECCR1PREP
SCHEMBL4041333 0.92 CTSK (0.69) CTSKCTSSACEPREPFAP
SCHEMBL4046945 0.92 CTSK (0.55) CTSKCTSSCHRNB2CHRNA7CHRNA4
SCHEMBL4039907 0.92 CTSK (0.59) CTSKCTSSACE
SCHEMBL4046389 0.92 CTSK (0.69) CTSKCTSSACECCR1CHRNB2
SCHEMBL4040004 0.91 CTSK (0.54) CTSKCTSSACECCR1PREP
SCHEMBL4043949 0.90 CTSK (0.53) CTSKCTSSACECHRNB2CHRNA7
SCHEMBL4042810 0.90 CTSK (0.58) CTSKCTSSCTSL

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 claimed