SCHEMBL4044808

SCHEMBL4044808

CCCC(NC(=O)Oc1ccc(-c2ccccc2)s1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)C(=O)c1cccnc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.36
ELANE P08246 1/20 0.32
CTSS P25774 2/20 0.32
GPR132 Q9UNW8 3/20 0.31
PREP P48147 2/20 0.31
FAP Q12884 2/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
CCR1 P32246 1/20 0.31
F10 P00742 1/20 0.31
TGM2 P21980 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
ROCK2 O75116 1/20 0.31

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
SCHEMBL4046884 0.94 CTSK (0.34) CTSKELANECTSSPREPFAP
SCHEMBL4045331 0.93 CTSK (0.43) CTSKELANECTSSPREPFAP
SCHEMBL4039018 0.90 HSD17B10 (0.36) CTSKCTSSPREPFAPCHRNB2
SCHEMBL4043596 0.89 ELANE (0.38) CTSKELANEGPR132PREPFAP
SCHEMBL4042570 0.88 CTSK (0.34) CTSKELANEPREPFAP
SCHEMBL4043393 0.88 FKBP1A (0.35) CTSKCTSSCHRNB2CHRNA7CHRNA4
SCHEMBL4039641 0.88 CTSK (0.34) CTSKPREPFAP
SCHEMBL4050322 0.88 CTSK (0.34) CTSKELANEPREPFAP
SCHEMBL4042672 0.86 CTSK (0.41) CTSKELANECTSSPREPFAP
SCHEMBL4042885 0.86 TGM2 (0.44) CTSKCTSSTGM2

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