SCHEMBL7808905

SCHEMBL7808905

N#CC1(NC(=O)C2C[C@@H](S(=O)(=O)c3ccccc3Cl)C[C@H]2OCc2c(F)cc(Cl)cc2F)CC1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSL P07711 14/20 0.55
CTSS P25774 16/20 0.52
CTSB P07858 3/20 0.52

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
SCHEMBL1139794 1.00 CTSL (0.55) CTSLCTSSCTSB
SCHEMBL1139447 1.00 CTSL (0.55) CTSLCTSSCTSB
SCHEMBL1139681 0.91 CTSL (0.57) CTSLCTSSCTSB
SCHEMBL15678542 0.91 CTSL (0.57) CTSLCTSSCTSB
SCHEMBL1139463 0.91 CTSL (0.57) CTSLCTSSCTSB
SCHEMBL15654517 0.89 CTSS (0.52) CTSLCTSSCTSB
SCHEMBL1139998 0.89 CTSS (0.52) CTSLCTSSCTSB
SCHEMBL15678438 0.89 CTSS (0.52) CTSLCTSSCTSB
SCHEMBL1139263 0.89 CTSS (0.52) CTSLCTSSCTSB
SCHEMBL1139550 0.88 CTSL (0.51) CTSLCTSSCTSB

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-2010142650-A1 NOVEL CYCLOPENTANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-12-16 WO disclosed