SCHEMBL17529992

SCHEMBL17529992

CC(C)CC(NC(=O)N1CCC(c2ccc(S(C)(=O)=O)cc2)CC1)C(=O)NC1(C#N)CC1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSL P07711 18/20 0.54
CTSK P43235 12/20 0.54
CTSS P25774 11/20 0.54
CTSB P07858 3/20 0.54

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
SCHEMBL17530181 0.91 CTSL (0.52) CTSLCTSKCTSSCTSB
SCHEMBL17529985 0.88 CTSL (0.63) CTSLCTSKCTSSCTSB
SCHEMBL17530007 0.88 CTSL (0.62) CTSLCTSKCTSSCTSB
SCHEMBL17530169 0.85 CTSS (0.56) CTSLCTSKCTSSCTSB
SCHEMBL17530922 0.81 CTSL (0.57) CTSLCTSKCTSSCTSB
SCHEMBL17530229 0.78 CTSL (0.50) CTSLCTSKCTSSCTSB
SCHEMBL17530002 0.78 CTSL (0.52) CTSLCTSKCTSSCTSB
SCHEMBL17530911 0.76 CTSL (0.58) CTSLCTSKCTSSCTSB
SCHEMBL17530170 0.76 CTSS (0.51) CTSLCTSKCTSSCTSB
SCHEMBL17530364 0.76 CTSB (0.64) CTSKCTSSCTSB

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
WO-2016027284-A2 PIPERIDINE UREAS AS CATHEPSIN CYSTEINE PROTEASE INHIBITORS ALKEM LABORATORIES LTD. (IN) 2016-02-25 WO disclosed