SCHEMBL17530002

SCHEMBL17530002

Cc1ccc(F)c(C2CCN(C(=O)NC(CC(C)C)C(=O)NC3(C#N)CC3)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSL P07711 14/20 0.52
CTSS P25774 8/20 0.47
CTSK P43235 8/20 0.47
CTSB P07858 3/20 0.47

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
SCHEMBL17530391 0.88 CTSB (0.54) CTSSCTSKCTSB
SCHEMBL17529980 0.86 CTSS (0.54) CTSLCTSSCTSKCTSB
SCHEMBL17529985 0.83 CTSL (0.63) CTSLCTSSCTSKCTSB
SCHEMBL17530007 0.81 CTSL (0.62) CTSLCTSSCTSKCTSB
SCHEMBL17530330 0.80 CTSL (0.50) CTSLCTSSCTSKCTSB
SCHEMBL17530229 0.78 CTSL (0.50) CTSLCTSSCTSKCTSB
SCHEMBL17530361 0.78 CTSB (0.55) CTSSCTSKCTSB
SCHEMBL17529992 0.78 CTSL (0.54) CTSLCTSSCTSKCTSB
SCHEMBL17530188 0.77 CTSS (0.49) CTSLCTSSCTSKCTSB
SCHEMBL17529977 0.75 CTSS (0.52) 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