SCHEMBL17529973

SCHEMBL17529973

Cc1cc(F)cc(C2CCCN(C(=O)NC(CC(C)C)C(=O)NCC#N)C2)c1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.50
CTSL P07711 13/20 0.46
CTSK P43235 3/20 0.41
CTSB P07858 3/20 0.41

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
SCHEMBL17530335 0.90 CTSS (0.55) CTSSCTSLCTSKCTSB
SCHEMBL17529981 0.89 CTSS (0.48) CTSSCTSLCTSKCTSB
SCHEMBL17530013 0.88 CTSL (0.56) CTSSCTSLCTSKCTSB
SCHEMBL17530239 0.87 CTSL (0.56) CTSSCTSLCTSKCTSB
SCHEMBL17529971 0.84 CTSS (0.56) CTSSCTSLCTSKCTSB
SCHEMBL17530188 0.83 CTSS (0.49) CTSSCTSLCTSKCTSB
SCHEMBL17529978 0.82 CTSS (0.49) CTSSCTSLCTSKCTSB
SCHEMBL17530365 0.81 CTSS (0.47) CTSSCTSLCTSKCTSB
SCHEMBL17530194 0.80 CTSS (0.52) CTSSCTSLCTSKCTSB
SCHEMBL17530402 0.80 CTSS (0.52) CTSSCTSLCTSKCTSB

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