SCHEMBL29417439

SCHEMBL29417439

N#CC1(NC(=O)[C@@H]2C[C@@H](Sc3ccc(Br)cc3C(F)(F)F)CN2C(=O)C2(C(F)(F)F)CC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.54
CTSL P07711 1/20 0.51

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
SCHEMBL19301958 1.00 CTSS (0.54) CTSSCTSL
SCHEMBL19283697 0.92 CTSS (0.51) CTSS
SCHEMBL29417470 0.92 CTSS (0.54) CTSSCTSL
SCHEMBL19301911 0.92 CTSS (0.54) CTSSCTSL
SCHEMBL19301910 0.92 CTSS (0.54) CTSSCTSL
SCHEMBL19283773 0.88 CTSS (0.51) CTSS
SCHEMBL699089 0.86 CTSS (0.48) CTSSCTSL
SCHEMBL20768281 0.85 CTSS (0.54) CTSS
SCHEMBL20768306 0.85 CTSS (0.54) CTSS
SCHEMBL14941912 0.85 CTSS (0.74) CTSS

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
CN-108699044-B Novel pyrrolidine derivatives 豪夫迈·罗氏有限公司 2022-03-04 CN disclosed