SCHEMBL4048072

SCHEMBL4048072

O=C(NC(CC1CCCCC1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)C(=O)c1cccnc1)Oc1csc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSV O60911 2/20 0.39
CTSL P07711 2/20 0.39
CTSS P25774 2/20 0.39
F12 P00748 8/20 0.34
GPR132 Q9UNW8 1/20 0.32
CALCRL Q16602 1/20 0.32
HTRA1 Q92743 2/20 0.32
CTSK P43235 2/20 0.32
DHPS P49366 1/20 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
SCHEMBL4043670 0.91 CTSV (0.37) CTSVCTSLCTSSF12CALCRL
SCHEMBL4051458 0.90 CTSK (0.36) CALCRLCTSK
SCHEMBL4049892 0.89 CTSS (0.37) CTSVCTSLCTSSF12HTRA1
SCHEMBL4044172 0.89 CTSS (0.36) CTSVCTSLCTSSF12GPR132
SCHEMBL4051046 0.86 CTSV (0.39) CTSVCTSLCTSSF12GPR132
SCHEMBL4039394 0.85 CTSL (0.42) CTSVCTSLCTSSF12CTSK
SCHEMBL4045088 0.84 CTSS (0.37) CTSVCTSLCTSSF12GPR132
SCHEMBL4048674 0.84 CTSS (0.37) CTSVCTSLCTSSF12HTRA1
SCHEMBL4043551 0.83 CTSL (0.41) CTSVCTSLCTSSF12GPR132
SCHEMBL4214125 0.83 CTSS (0.38) CTSVCTSLCTSSF12CTSK

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