SCHEMBL4042075

SCHEMBL4042075

CCCC(NC(=O)Oc1cnc2ccccc2n1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)Cc1ccccn1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PREP P48147 2/20 0.36
FAP Q12884 2/20 0.36
CTSK P43235 3/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSS P25774 1/20 0.32
ELANE P08246 1/20 0.32

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
SCHEMBL4047618 0.93 CTSK (0.40) CTSKCTSLCTSBCTSS
SCHEMBL4044622 0.92 CTSK (0.38) PREPFAPCTSKCTSLCTSB
SCHEMBL4045549 0.90 CTSL (0.39) PREPFAPCTSKCTSLCTSB
SCHEMBL4045110 0.89 PREP (0.35) PREPFAPCTSKCTSBCTSS
SCHEMBL4042235 0.88 PREP (0.36) PREPFAPCTSKCTSLCTSB
SCHEMBL4045026 0.86 CTSK (0.36) PREPFAPCTSKCTSLCTSB
SCHEMBL4043139 0.86 ELANE (0.37) PREPFAPCTSKELANE
SCHEMBL4046666 0.86 HSD17B10 (0.36) PREPFAPCTSKCTSS
SCHEMBL4038257 0.85 PREP (0.34) PREPFAPCTSKELANE
SCHEMBL4039771 0.85 ALDH1A1 (0.38) PREPFAPCTSKCTSLCTSB

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