SCHEMBL4044532

SCHEMBL4044532

CC(C)CC(N)C(=O)N1CCC2C1C(=O)CN2C(=O)CN1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.41
DPP7 Q9UHL4 2/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
CTSK P43235 2/20 0.38
CHRM5 P08912 2/20 0.34
CHRM3 P20309 2/20 0.34
SMYD3 Q9H7B4 2/20 0.33
PEPD P12955 1/20 0.32
XPNPEP1 Q9NQW7 1/20 0.32
SIGMAR1 Q99720 2/20 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
SCHEMBL4052363 0.88 DPP4 (0.42) DPP4DPP7DPP8DPP9CTSK
SCHEMBL4043977 0.86 DPP4 (0.44) DPP4DPP7DPP8DPP9CTSK
SCHEMBL4049054 0.84 DPP4 (0.52) DPP4DPP7DPP8DPP9CTSK
SCHEMBL4044096 0.81 DPP4 (0.45) DPP4DPP7DPP8DPP9CTSK
SCHEMBL4042196 0.81 DPP4 (0.44) DPP4DPP7DPP8DPP9CTSK
SCHEMBL4052757 0.80 DPP4 (0.48) DPP4DPP7DPP8DPP9CTSK
SCHEMBL4046908 0.80 DPP4 (0.44) DPP4DPP7DPP8DPP9CTSK
SCHEMBL4045576 0.80 DPP4 (0.44) DPP4DPP7DPP8DPP9CTSK
SCHEMBL4052226 0.80 DPP4 (0.46) DPP4DPP7DPP8DPP9CTSK
SCHEMBL4037832 0.80 CTSK (0.57) CTSKSMYD3

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