SCHEMBL17529993

SCHEMBL17529993

CC(C)CC(NC(=O)N1CC=C(c2ccccc2)CC1)C(=O)NC1(C#N)CC1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSL P07711 16/20 0.61
CTSS P25774 7/20 0.61
CTSK P43235 7/20 0.61
CTSB P07858 4/20 0.61

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
SCHEMBL17529991 0.92 CTSL (0.61) CTSLCTSSCTSKCTSB
SCHEMBL17530922 0.89 CTSL (0.57) CTSLCTSSCTSKCTSB
SCHEMBL17530386 0.85 CTSS (0.58) CTSLCTSSCTSKCTSB
SCHEMBL17530330 0.84 CTSL (0.50) CTSLCTSSCTSKCTSB
SCHEMBL17529986 0.82 CTSL (0.48) CTSLCTSSCTSKCTSB
SCHEMBL17530389 0.80 CTSL (0.47) CTSLCTSSCTSKCTSB
SCHEMBL17530007 0.80 CTSL (0.62) CTSLCTSSCTSKCTSB
SCHEMBL17530249 0.78 CTSL (0.57) CTSLCTSSCTSKCTSB
SCHEMBL17530164 0.78 CTSS (0.54) CTSLCTSSCTSKCTSB
SCHEMBL17530186 0.77 CTSL (0.53) CTSLCTSSCTSKCTSB

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