SCHEMBL4050283

SCHEMBL4050283

CCCC(NC(=O)Oc1cnc2ccccc2n1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)C(=O)c1cccnc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PREP P48147 5/20 0.35
FAP Q12884 4/20 0.35
CTSK P43235 4/20 0.34
ELANE P08246 1/20 0.32
MC4R P32245 1/20 0.32
MC3R P41968 1/20 0.32
MC1R Q01726 1/20 0.32
CTSS P25774 1/20 0.32
HCRTR1 O43613 3/20 0.31
HCRTR2 O43614 3/20 0.31
MMP1 P03956 1/20 0.30
MMP3 P08254 1/20 0.30
MMP9 P14780 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
SCHEMBL4045238 0.93 CTSK (0.42) PREPFAPCTSKELANECTSS
SCHEMBL4045687 0.92 MC4R (0.34) PREPFAPCTSKELANEMC4R
SCHEMBL4046666 0.90 HSD17B10 (0.36) PREPFAPCTSKCTSSHCRTR2
SCHEMBL4042235 0.89 PREP (0.36) PREPFAPCTSKMC4RMC3R
SCHEMBL4045110 0.88 PREP (0.35) PREPFAPCTSKCTSS
SCHEMBL4051965 0.87 MC4R (0.38) CTSKELANEMC4RMC3RMC1R
SCHEMBL4043596 0.86 ELANE (0.38) PREPFAPCTSKELANEMC4R
SCHEMBL4045549 0.86 CTSL (0.39) PREPFAPCTSKCTSS
SCHEMBL4044339 0.86 ALDH1A1 (0.37) PREPFAPCTSKELANEMC4R
SCHEMBL4042570 0.85 CTSK (0.34) PREPFAPCTSKELANEMC4R

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