SCHEMBL4044003

SCHEMBL4044003

CC(C)CC(NC(=O)Oc1ccc(-c2ccccc2)s1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)Cc1cccnc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.40
CTSL P07711 6/20 0.37
CTSS P25774 4/20 0.37
CTSB P07858 2/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
FKBP1A P62942 1/20 0.35

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
SCHEMBL4043393 0.93 FKBP1A (0.35) CTSKCTSSCTSBCHRNB2CHRNA7
SCHEMBL4037989 0.90 CTSK (0.42) CTSKCTSLCTSSCTSBCHRNB2
SCHEMBL4043952 0.89 CTSK (0.42) CTSKCTSLCTSSCTSBCHRNA7
SCHEMBL4045331 0.88 CTSK (0.43) CTSKCTSLCTSSCTSBCHRNB2
SCHEMBL4042904 0.88 CTSK (0.39) CTSKCTSLCTSSCTSB
SCHEMBL4045898 0.88 CTSK (0.41) CTSKCTSLCTSSCTSB
SCHEMBL4043196 0.88 CTSK (0.39) CTSKCTSLCTSSCTSBFKBP1A
SCHEMBL4045035 0.87 CTSK (0.45) CTSKCTSLCTSSCTSBCHRNB2
SCHEMBL4042866 0.87 CTSK (0.50) CTSKCTSLCTSSCTSB
SCHEMBL4050222 0.86 CTSK (0.43) CTSKCTSLCTSSCTSB

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