SCHEMBL19301960

SCHEMBL19301960

N#CC1(NC(=O)[C@@H]2CC(Sc3ccc(F)cc3Cl)CN2C(=O)C2(C(F)(F)F)CC2)CC1

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.59
CTSL P07711 4/20 0.55

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
SCHEMBL19301959 1.00 CTSS (0.59) CTSSCTSL
SCHEMBL29417416 1.00 CTSS (0.59) CTSSCTSL
SCHEMBL19301910 0.91 CTSS (0.54) CTSSCTSL
SCHEMBL29417470 0.91 CTSS (0.54) CTSSCTSL
SCHEMBL19301911 0.91 CTSS (0.54) CTSSCTSL
SCHEMBL29417404 0.90 CTSS (0.54) CTSSCTSL
SCHEMBL19302020 0.90 CTSS (0.54) CTSSCTSL
SCHEMBL14949913 0.86 CTSS (0.56) CTSSCTSL
SCHEMBL19302024 0.86 CTSS (0.53) CTSSCTSL
SCHEMBL15194287 0.85 CTSS (0.65) CTSSCTSL

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-2017144483-A1 NOVEL PYRROLIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2017-08-31 WO disclosed