SCHEMBL13784661

SCHEMBL13784661

Cc1c(C(=O)NC(C(=O)N[C@H]2C[C@H](C)CN(S(=O)(=O)c3ccccn3)CC2=O)C(C)C)oc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 18/20 0.60
CTSL P07711 17/20 0.60
CTSS P25774 13/20 0.60
CTSB P07858 5/20 0.45
CTSV O60911 2/20 0.45
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40

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
SCHEMBL13784618 1.00 CTSK (0.60) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6842254 0.90 CTSK (0.75) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6842272 0.90 CTSK (0.75) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7486011 0.78 CTSK (0.74) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6841551 0.77 CTSL (0.57) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6837074 0.77 CTSL (0.57) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6837057 0.75 CTSK (0.74) CTSKCTSLCTSSCTSBCTSV
SCHEMBL13784217 0.75 CTSK (0.74) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4316613 0.74 CTSK (0.68) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4310547 0.74 CTSK (0.68) CTSKCTSLCTSSCTSBCTSV

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
US-7563784-B2 Protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-07-21 US disclosed