SCHEMBL4046502

SCHEMBL4046502

CCCC(NC(=O)Oc1oc2ccccc2c1C)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)C(=O)c1cccnc1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.34
FAP Q12884 3/20 0.34
CTSK P43235 4/20 0.33
CTSS P25774 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
GAA P10253 2/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ELANE P08246 1/20 0.30
CCR8 P51685 1/20 0.30

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
SCHEMBL4047585 0.93 CTSK (0.41) PREPFAPCTSKCTSSCHRNB2
SCHEMBL4042994 0.92 CTSS (0.35) PREPFAPCTSKCTSSCHRNB2
SCHEMBL4042714 0.90 SMN1; SMN2 (0.36) PREPFAPCTSKCTSSCHRNB2
SCHEMBL4042344 0.90 CTSK (0.33) CTSKCHRNB2CHRNA7CHRNA4GAA
SCHEMBL4048128 0.89 CHRNB2 (0.36) PREPFAPCHRNB2CHRNA7CHRNA4
SCHEMBL4040090 0.89 PREP (0.36) PREPFAPCTSKCTSS
SCHEMBL4046940 0.87 KDM4E (0.35) PREPFAPCTSKCTSSGAA
SCHEMBL4043247 0.85 CTSK (0.39) PREPFAPCTSKCTSS
SCHEMBL4043596 0.85 ELANE (0.38) PREPFAPCTSKTSHRELANE
SCHEMBL4051394 0.84 CTSK (0.34) PREPFAPCTSKUSP2ELANE

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