SCHEMBL6927425

SCHEMBL6927425

CC(C)C[C@H](NC(=O)c1cccc(-c2ccccn2)c1)C(=O)NCC(=O)CNC(=O)Cc1cccc(-c2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 14/20 0.55
▸ CTSB P07858 8/20 0.55
▸ CTSS P25774 8/20 0.55
▸ CTSK P43235 5/20 0.46
▸ CTSV O60911 4/20 0.45
▸ CNR2 P34972 1/20 0.41

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
SCHEMBL7473777 0.92 CTSL (0.53) CTSLCTSBCTSSCTSKCTSV
SCHEMBL7462272 0.92 CTSL (0.50) CTSLCTSBCTSSCTSKCTSV
SCHEMBL6927525 0.91 CTSL (0.49) CTSLCTSBCTSSCTSKCTSV
SCHEMBL7473976 0.91 CTSL (0.49) CTSLCTSBCTSSCTSKCTSV
SCHEMBL7467318 0.91 CTSL (0.53) CTSLCTSBCTSSCTSKCTSV
SCHEMBL7463889 0.90 CTSL (0.49) CTSLCTSBCTSSCTSKCTSV
SCHEMBL7462366 0.90 CTSS (0.53) CTSLCTSBCTSSCTSKCTSV
SCHEMBL7467469 0.90 CTSL (0.47) CTSLCTSBCTSSCTSKCTSV
SCHEMBL7473345 0.90 TAS1R3 (0.54) CTSLCTSBCTSSCTSKCTSV
SCHEMBL7466927 0.90 CTSL (0.48) 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
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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