SCHEMBL6053232

SCHEMBL6053232

CC(C)N1CCN(c2ccc(C(=O)NC3(C(=O)NS(=O)(=O)CC#N)CCCCC3)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSB P07858 17/20 0.59
CTSL P07711 17/20 0.59
CTSS P25774 15/20 0.59
CTSK P43235 6/20 0.57
CTSD P07339 1/20 0.56

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
SCHEMBL4576522 0.86 CTSL (0.80) CTSBCTSLCTSSCTSKCTSD
SCHEMBL6053228 0.79 CTSB (0.51) CTSBCTSLCTSSCTSKCTSD
SCHEMBL4576517 0.78 CTSB (0.54) CTSBCTSLCTSSCTSKCTSD
SCHEMBL4576707 0.75 CTSB (1.00) CTSBCTSLCTSSCTSKCTSD
SCHEMBL6053502 0.74 CTSB (0.56) CTSBCTSLCTSSCTSKCTSD
SCHEMBL4577128 0.73 CTSL (0.85) CTSBCTSLCTSSCTSKCTSD
SCHEMBL6053162 0.73 CTSL (0.49) CTSBCTSLCTSSCTSK
SCHEMBL6185946 0.73 CTSB (1.00) CTSBCTSLCTSSCTSKCTSD
SCHEMBL4576245 0.72 CTSL (0.94) CTSBCTSLCTSSCTSKCTSD
Balicatib SCHEMBL1587772 0.72 CTSB (1.00) CTSBCTSLCTSSCTSKCTSD

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