SCHEMBL4051473

SCHEMBL4051473

CCCC(NC(=O)Oc1ccoc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)C(=O)c1cccnc1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.34
ELANE P08246 1/20 0.33
PREP P48147 3/20 0.32
FAP Q12884 2/20 0.32
GPR132 Q9UNW8 3/20 0.30
MC4R P32245 1/20 0.30
MC3R P41968 1/20 0.30
MC1R Q01726 1/20 0.30
TGM2 P21980 1/20 0.30
CCR1 P32246 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
SCHEMBL4047790 0.93 CTSK (0.36) CTSKELANEPREPFAP
SCHEMBL4045591 0.93 CTSK (0.41) CTSKELANEPREPFAP
SCHEMBL4044048 0.90 HSD17B10 (0.37) CTSKPREPFAPALDH1A1
SCHEMBL4043551 0.89 CTSL (0.41) CTSKELANEPREPFAPGPR132
SCHEMBL4043596 0.89 ELANE (0.38) CTSKELANEPREPFAPGPR132
SCHEMBL4051394 0.88 CTSK (0.34) CTSKELANEPREPFAP
SCHEMBL4051965 0.88 MC4R (0.38) CTSKELANEGPR132MC4RMC3R
SCHEMBL4045553 0.88 CTSK (0.34) CTSKELANEPREPFAPGPR132
SCHEMBL4047173 0.88 SMYD3 (0.35) PREPFAPGPR132ALDH1A1
SCHEMBL4041785 0.87 PREP (0.35) CTSKPREPFAPMC4RMC3R

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