SCHEMBL4041369

SCHEMBL4041369

O=C(NC(CC1CCCCC1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccccn1)Oc1ccoc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.42
CTSL P07711 6/20 0.42
CTSV O60911 2/20 0.42
CTSK P43235 7/20 0.38
F2RL1 P55085 2/20 0.35
USP30 Q70CQ3 1/20 0.33
HTRA1 Q92743 3/20 0.33
EPHX2 P34913 1/20 0.33
F12 P00748 1/20 0.33
PSMB11 A5LHX3 1/20 0.32
PSMA7 O14818 1/20 0.32
PSMB1 P20618 1/20 0.32
PSMA1 P25786 1/20 0.32
PSMA2 P25787 1/20 0.32
PSMA3 P25788 1/20 0.32
PSMA4 P25789 1/20 0.32
PSMB8 P28062 1/20 0.32
PSMB9 P28065 1/20 0.32
PSMA5 P28066 1/20 0.32
PSMB4 P28070 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
SCHEMBL4044026 0.89 CTSK (0.49) CTSSCTSLCTSK
SCHEMBL4050717 0.88 CTSK (0.44) CTSSCTSLCTSK
SCHEMBL4049845 0.88 CTSK (0.40) CTSSCTSLCTSK
SCHEMBL4050085 0.88 CTSS (0.40) CTSSCTSLCTSVCTSKF2RL1
SCHEMBL4041473 0.88 CTSS (0.41) CTSSCTSLCTSVCTSKF2RL1
SCHEMBL4047616 0.86 CTSL (0.46) CTSSCTSLCTSVCTSK
SCHEMBL4047634 0.83 CTSL (0.39) CTSSCTSLCTSVCTSKF2RL1
SCHEMBL4044772 0.82 CTSV (0.39) CTSSCTSLCTSVCTSKF2RL1
SCHEMBL4043817 0.80 CTSL (0.39) CTSSCTSLCTSVCTSKHTRA1
SCHEMBL4042558 0.79 CTSK (0.39) CTSSCTSLCTSVCTSK

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