SCHEMBL4052303

SCHEMBL4052303

CCCC(NC(=O)Oc1ccc(-c2ccccc2)cc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)C(=O)c1ccccn1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.35
PREP P48147 2/20 0.34
FAP Q12884 2/20 0.34
ELANE P08246 1/20 0.33
MC4R P32245 1/20 0.32
MC3R P41968 1/20 0.32
MC1R Q01726 1/20 0.32
P2RY12 Q9H244 5/20 0.32
UTS2R Q9UKP6 1/20 0.31
PORCN Q9H237 1/20 0.31
TGM2 P21980 1/20 0.31
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
MMP7 P09237 1/20 0.30
MMP9 P14780 1/20 0.30
MMP8 P22894 1/20 0.30
MMP13 P45452 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
SCHEMBL4045521 0.92 CTSK (0.43) CTSKUTS2R
SCHEMBL4047535 0.92 MC4R (0.38) CTSKPREPFAPMC4RMC3R
SCHEMBL4044691 0.90 PREP (0.35) CTSKPREPFAPELANEMC4R
SCHEMBL4041785 0.90 PREP (0.35) CTSKPREPFAPMC4RMC3R
SCHEMBL4043678 0.89 ALDH1A1 (0.38) CTSKPREPFAPMC4RMC3R
SCHEMBL4042234 0.89 ELOVL6 (0.39) CTSK
SCHEMBL4039641 0.89 CTSK (0.34) CTSKPREPFAPP2RY12
SCHEMBL4045924 0.89 USP30 (0.40) MC4RMC3RMC1R
SCHEMBL4046061 0.89 LMNA (0.36) PREPFAP
SCHEMBL4044814 0.88 FNTA (0.35) CTSKMC4RMC3RMC1R

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