SCHEMBL6929121

SCHEMBL6929121

CC(NC(=O)Cc1cccc(-c2ccccn2)c1)C(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc2cccnc12

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 10/20 0.52
▸ CTSL P07711 9/20 0.52
▸ CTSB P07858 8/20 0.52
▸ CTSV O60911 7/20 0.44
▸ KLKB1 P03952 2/20 0.41
▸ KMT2A Q03164 1/20 0.40
▸ KLK1 P06870 1/20 0.39
▸ CAPN1 P07384 6/20 0.38

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
SCHEMBL6928352 0.92 CTSL (0.44) CTSSCTSLCTSBCTSV
SCHEMBL6926223 0.89 CTSS (0.51) CTSSCTSLCTSBCTSVKLKB1
SCHEMBL6928739 0.83 CTSL (0.58) CTSSCTSLCTSBCTSVKMT2A
SCHEMBL6923719 0.82 CTSL (0.55) CTSSCTSLCTSBCTSVKLKB1
SCHEMBL7462346 0.74 CTSK (0.47) CTSSCTSLCTSBCTSV
SCHEMBL6659791 0.74 CTSL (0.47) CTSSCTSLCTSB
SCHEMBL7464820 0.71 CTSL (0.47) CTSSCTSLCTSBCTSV
SCHEMBL7462272 0.71 CTSL (0.50) CTSSCTSLCTSBCTSV
SCHEMBL6927425 0.70 CTSL (0.55) CTSSCTSLCTSBCTSV
SCHEMBL7473345 0.69 TAS1R3 (0.54) CTSSCTSLCTSBCTSV

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
US-6518267-B1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2003-02-11 — — US claimed
US-6518267-B1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2003-02-11 — — US disclosed
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