SCHEMBL17529980

SCHEMBL17529980

Cc1ccc(F)c(C2CCN(C(=O)NC(CC(C)C)C(=O)NCC#N)CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSS P25774 9/20 0.54
CTSL P07711 13/20 0.49
CTSB P07858 5/20 0.44
CTSK P43235 5/20 0.44

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
SCHEMBL17530188 0.90 CTSS (0.49) CTSSCTSLCTSBCTSK
SCHEMBL17529977 0.89 CTSS (0.52) CTSSCTSLCTSBCTSK
SCHEMBL17530370 0.88 CTSS (0.57) CTSSCTSLCTSBCTSK
SCHEMBL17530396 0.88 CTSL (0.48) CTSSCTSLCTSBCTSK
SCHEMBL17530002 0.86 CTSL (0.52) CTSSCTSLCTSBCTSK
SCHEMBL17530335 0.83 CTSS (0.55) CTSSCTSLCTSBCTSK
SCHEMBL17530023 0.82 CTSS (0.52) CTSSCTSLCTSBCTSK
SCHEMBL17530248 0.82 CTSL (0.59) CTSSCTSLCTSBCTSK
SCHEMBL17530026 0.81 CTSS (0.52) CTSSCTSLCTSBCTSK
SCHEMBL17530369 0.81 CTSL (0.59) CTSSCTSLCTSBCTSK

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