SCHEMBL4228425

SCHEMBL4228425

CC(C)CC(N)C(=O)N1CCC2[C@H]1[C@@H](O)CN2C(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.43
DPP4 P27487 4/20 0.43
DPP8 Q6V1X1 3/20 0.43
DPP9 Q86TI2 2/20 0.43
DPP7 Q9UHL4 2/20 0.43
PIK3CD O00329 1/20 0.41
TACR1 P25103 1/20 0.38
FAP Q12884 1/20 0.37
CACNA1B Q00975 1/20 0.36
SLC18A3 Q16572 2/20 0.36
ABCB1 P08183 2/20 0.36
TSHR P16473 1/20 0.36
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.35

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
SCHEMBL5941840 1.00 CTSK (0.43) CTSKDPP4DPP8DPP9DPP7
SCHEMBL4228428 1.00 CTSK (0.43) CTSKDPP4DPP8DPP9DPP7
SCHEMBL5941797 0.87 DPP4 (0.49) CTSKDPP4DPP8DPP9DPP7
SCHEMBL5941514 0.80 CTSK (0.64) CTSKDPP4DPP8DPP9DPP7
SCHEMBL4048380 0.80 CTSK (0.64) CTSKDPP4DPP8DPP9DPP7
SCHEMBL4206356 0.78 CTSK (0.73) CTSKFAP
SCHEMBL4356829 0.78 CTSK (0.58) CTSK
SCHEMBL5941798 0.78 CTSK (0.73) CTSKFAP
SCHEMBL5941862 0.78 CTSK (0.58) CTSK
SCHEMBL5941484 0.78 CTSK (0.58) CTSK

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 3 patents. 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 disclosed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO disclosed