SCHEMBL24199878

SCHEMBL24199878

CSc1ccc(-c2ccc([C@H](N[C@@H](CC(C)(C)F)C(=O)NCC#N)C(F)(F)F)cc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSL P07711 20/20 0.78
CTSB P07858 17/20 0.78
CTSS P25774 17/20 0.78
CTSK P43235 16/20 0.78
CTSF Q9UBX1 1/20 0.73

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
SCHEMBL2155860 0.94 CTSL (0.78) CTSLCTSBCTSSCTSKCTSF
SCHEMBL24199833 0.90 CTSB (0.63) CTSLCTSBCTSSCTSKCTSF
SCHEMBL2156992 0.88 CTSL (1.00) CTSLCTSBCTSSCTSK
SCHEMBL2156187 0.88 CTSL (1.00) CTSLCTSBCTSSCTSK
SCHEMBL2948349 0.87 CTSB (0.60) CTSLCTSBCTSSCTSKCTSF
SCHEMBL2948347 0.87 CTSB (0.60) CTSLCTSBCTSSCTSKCTSF
SCHEMBL2157152 0.87 CTSL (0.86) CTSLCTSBCTSSCTSK
SCHEMBL4672212 0.87 CTSL (0.86) CTSLCTSBCTSSCTSK
SCHEMBL4676573 0.85 CTSL (0.74) CTSLCTSBCTSSCTSKCTSF
SCHEMBL2156003 0.85 CTSL (0.74) CTSLCTSBCTSSCTSKCTSF

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
EP-3720840-B1 CATHEPSIN INHIBITORS ACADEMISCH ZIEKENHUIS LEIDEN (NL) 2022-01-19 EP disclosed