SCHEMBL4044772

SCHEMBL4044772

O=C(NC(CC1CCCCC1)C(=O)N1CCC2C1C(=O)CN2C(=O)Cc1cccnc1)Oc1ccoc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSV O60911 2/20 0.39
CTSL P07711 2/20 0.39
CTSS P25774 2/20 0.39
HTRA1 Q92743 2/20 0.38
GPR132 Q9UNW8 1/20 0.38
C3AR1 Q16581 1/20 0.34
CYP3A4 P08684 1/20 0.34
F2RL1 P55085 2/20 0.33
CPB2 Q96IY4 1/20 0.33
CTSK P43235 2/20 0.33
FPR2 P25090 1/20 0.32
F12 P00748 2/20 0.32
HRH3 Q9Y5N1 1/20 0.32
REN P00797 1/20 0.32
CHRNA7 P36544 1/20 0.32
NAMPT P43490 1/20 0.32

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
SCHEMBL4050440 0.90 CTSK (0.43) CTSLCTSSCTSKCHRNA7
SCHEMBL4050112 0.89 CTSK (0.38) CTSKHRH3CHRNA7
SCHEMBL4040981 0.89 CTSK (0.35) GPR132CTSKHRH3CHRNA7
SCHEMBL4041667 0.88 HTRA1 (0.38) CTSVCTSLCTSSHTRA1GPR132
SCHEMBL4047756 0.87 CTSL (0.38) CTSVCTSLCTSSHTRA1GPR132
SCHEMBL4043817 0.85 CTSL (0.39) CTSVCTSLCTSSHTRA1GPR132
SCHEMBL4043551 0.83 CTSL (0.41) CTSVCTSLCTSSHTRA1GPR132
SCHEMBL4045088 0.83 CTSS (0.37) CTSVCTSLCTSSHTRA1GPR132
SCHEMBL4041369 0.82 CTSS (0.42) CTSVCTSLCTSSHTRA1F2RL1
SCHEMBL4041842 0.79 CHRNB2 (0.37) CTSVCTSLCTSSHTRA1CTSK

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