SCHEMBL4047634

SCHEMBL4047634

O=C(NC(CC1CCCCC1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccccn1)Oc1csc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.39
CTSS P25774 4/20 0.39
CTSV O60911 2/20 0.39
CTSK P43235 4/20 0.37
F12 P00748 6/20 0.37
HTRA1 Q92743 2/20 0.34
F2RL1 P55085 1/20 0.33
USP30 Q70CQ3 1/20 0.33
GCK P35557 1/20 0.32
EPHX2 P34913 1/20 0.32
PREP P48147 1/20 0.32
FAP Q12884 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
SCHEMBL4044151 0.89 CTSK (0.43) CTSLCTSSCTSKPREPFAP
SCHEMBL4049892 0.89 CTSS (0.37) CTSLCTSSCTSVCTSKF12
SCHEMBL4039394 0.87 CTSL (0.42) CTSLCTSSCTSVCTSKF12
SCHEMBL4048674 0.85 CTSS (0.37) CTSLCTSSCTSVCTSKF12
SCHEMBL4041473 0.85 CTSS (0.41) CTSLCTSSCTSVCTSKF12
SCHEMBL4045088 0.85 CTSS (0.37) CTSLCTSSCTSVCTSKF12
SCHEMBL4041369 0.83 CTSS (0.42) CTSLCTSSCTSVCTSKF12
SCHEMBL4043670 0.82 CTSV (0.37) CTSLCTSSCTSVF12GCK
SCHEMBL4044727 0.81 CTSK (0.38) CTSLCTSSCTSVCTSKF12
SCHEMBL4044172 0.80 CTSS (0.36) CTSLCTSSCTSVCTSKF12

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