SCHEMBL6053162

SCHEMBL6053162

N#CCS(=O)(=O)NC(=O)C1(NC(=O)c2ccc(C3CCNCC3)cc2)CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSL P07711 16/20 0.49
CTSB P07858 15/20 0.49
CTSS P25774 14/20 0.49
CTSK P43235 4/20 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
SCHEMBL4576474 0.84 CTSL (0.66) CTSLCTSBCTSSCTSK
SCHEMBL6053502 0.84 CTSB (0.56) CTSLCTSBCTSSCTSK
SCHEMBL6053160 0.77 CTSL (0.43) CTSLCTSBCTSSCTSK
SCHEMBL4576471 0.76 CTSL (0.44) CTSLCTSBCTSSCTSK
SCHEMBL6053232 0.73 CTSB (0.59) CTSLCTSBCTSSCTSK
SCHEMBL4576438 0.71 CTSB (0.71) CTSLCTSBCTSSCTSK
SCHEMBL4576013 0.69 CTSB (0.61) CTSLCTSBCTSSCTSK
SCHEMBL4576583 0.69 CTSB (0.61) CTSLCTSBCTSSCTSK
SCHEMBL4577125 0.69 CTSB (0.73) CTSLCTSBCTSSCTSK
SCHEMBL3912181 0.67 CTSB (0.74) CTSLCTSBCTSSCTSK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1651238-A1 COMBINATIONS OF A CATHEPSIN K INHIBITOR AND A BISPHOPHONATE IN THE TREATMENT OF BONE METASTASIS, TUMOR GROWTH AND TUMOR-INDUCED BONE LOSS Novartis AG (CH) 2006-05-03 EP claimed
WO-2005014006-A1 COMBINATIONS OF A CATHEPSIN K INHIBITOR AND A BISPHOPHONATE IN THE TREATMENT OF BONE METASTASIS, TUMOR GROWTH AND TUMOR-INDUCED BONE LOSS NOVARTIS AG (CH) 2005-02-17 WO claimed