SCHEMBL6926223

SCHEMBL6926223

CC(NC(=O)Cc1cccc(-c2ccccn2)c1)C(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc2ncccc12

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 8/20 0.51
▸ CTSL P07711 7/20 0.51
▸ CTSB P07858 6/20 0.51
▸ CTSV O60911 5/20 0.49
▸ NSD2 O96028 1/20 0.44
▸ TACR3 P29371 3/20 0.42
▸ KLKB1 P03952 2/20 0.42
▸ KMT2A Q03164 1/20 0.40
▸ CCR1 P32246 1/20 0.40
▸ METAP1 P53582 1/20 0.38
▸ KLK1 P06870 1/20 0.38
▸ SCN9A Q15858 1/20 0.38
▸ SCN10A Q9Y5Y9 1/20 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
SCHEMBL6929121 0.89 CTSS (0.52) CTSSCTSLCTSBCTSVKLKB1
SCHEMBL6928739 0.82 CTSL (0.58) CTSSCTSLCTSBCTSVKMT2A
SCHEMBL6923719 0.81 CTSL (0.55) CTSSCTSLCTSBCTSVKLKB1
SCHEMBL6622072 0.81 CTSL (0.48) CTSSCTSLCTSBCTSVNSD2
SCHEMBL6928352 0.81 CTSL (0.44) CTSSCTSLCTSBCTSVSCN9A
SCHEMBL7462346 0.75 CTSK (0.47) CTSSCTSLCTSBCTSVSCN9A
SCHEMBL6659791 0.73 CTSL (0.47) CTSSCTSLCTSB
SCHEMBL7464820 0.71 CTSL (0.47) CTSSCTSLCTSBCTSVSCN9A
SCHEMBL6927425 0.69 CTSL (0.55) CTSSCTSLCTSBCTSV
SCHEMBL7473345 0.69 TAS1R3 (0.54) CTSSCTSLCTSBCTSVCCR1

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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