SCHEMBL4045553

SCHEMBL4045553

CCCC(NC(=O)Oc1ccsc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)C(=O)c1cccnc1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.34
PREP P48147 3/20 0.33
FAP Q12884 2/20 0.33
ELANE P08246 1/20 0.33
GPR132 Q9UNW8 3/20 0.30
AVPR1B P47901 1/20 0.30
MC4R P32245 1/20 0.30
MC3R P41968 1/20 0.30
MC1R Q01726 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL4045044 0.93 CTSK (0.36) CTSKPREPFAPELANEAVPR1B
SCHEMBL4047118 0.93 CTSK (0.41) CTSKPREPFAPELANEAVPR1B
SCHEMBL4045505 0.90 KCNQ1 (0.38) CTSKPREPFAPALDH1A1
SCHEMBL4051046 0.89 CTSV (0.39) CTSKPREPFAPELANEGPR132
SCHEMBL4050322 0.89 CTSK (0.34) CTSKPREPFAPELANEALDH1A1
SCHEMBL4043596 0.89 ELANE (0.38) CTSKPREPFAPELANEGPR132
SCHEMBL4051965 0.88 MC4R (0.38) CTSKELANEGPR132MC4RMC3R
SCHEMBL4051473 0.88 CTSK (0.34) CTSKPREPFAPELANEGPR132
SCHEMBL4045208 0.88 SMYD3 (0.35) PREPFAPGPR132ALDH1A1
SCHEMBL4044691 0.88 PREP (0.35) CTSKPREPFAPELANEMC4R

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