SCHEMBL6923642

SCHEMBL6923642

COc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)CNC(=O)C(C)c2cccc(-c3ccccn3)c2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 12/20 0.47
▸ CTSK P43235 10/20 0.47
▸ CTSS P25774 8/20 0.44
▸ CTSB P07858 3/20 0.44
▸ TAS1R3 Q7RTX0 3/20 0.42
▸ TAS1R1 Q7RTX1 3/20 0.42
▸ ADORA3 P0DMS8 1/20 0.41
▸ F2 P00734 1/20 0.40
▸ F10 P00742 1/20 0.40
▸ PRSS1 P07477 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
SCHEMBL7466927 0.88 CTSL (0.48) CTSLCTSKCTSSCTSBTAS1R3
SCHEMBL7463738 0.80 TAS1R3 (0.45) CTSLCTSKCTSSCTSBTAS1R3
SCHEMBL7464381 0.77 CTSL (0.47) CTSLCTSSCTSBTAS1R3TAS1R1
SCHEMBL6927425 0.76 CTSL (0.55) CTSLCTSKCTSSCTSB
SCHEMBL6621993 0.76 CTSK (0.54) CTSLCTSKCTSSCTSB
SCHEMBL7462272 0.75 CTSL (0.50) CTSLCTSKCTSSCTSBTAS1R3
SCHEMBL7473976 0.75 CTSL (0.49) CTSLCTSKCTSSCTSB
SCHEMBL6927525 0.75 CTSL (0.49) CTSLCTSKCTSSCTSBADORA3
SCHEMBL7467318 0.74 CTSL (0.53) CTSLCTSKCTSSCTSBF2
SCHEMBL7473777 0.74 CTSL (0.53) CTSLCTSKCTSSCTSB

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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