SCHEMBL6623442

SCHEMBL6623442

CC(C)C[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)NCC(=O)CNC(=O)Cc1cccc(-c2ccccn2)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 5/20 0.51
▸ CTSL P07711 5/20 0.51
▸ CTSK P43235 4/20 0.51
▸ TAS1R3 Q7RTX0 1/20 0.49
▸ TAS1R1 Q7RTX1 1/20 0.49
▸ CTSB P07858 1/20 0.44
▸ F2RL1 P55085 1/20 0.43
▸ PYGL P06737 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ HSPA5 P11021 1/20 0.41
▸ HSPA8 P11142 1/20 0.41
▸ HSPA9 P38646 1/20 0.41
▸ HSPA2 P54652 1/20 0.41
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC6 Q9UBN7 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
SCHEMBL7463889 0.85 CTSL (0.49) CTSSCTSLCTSKCTSB
SCHEMBL7462272 0.85 CTSL (0.50) CTSSCTSLCTSKTAS1R3TAS1R1
SCHEMBL7462346 0.85 CTSK (0.47) CTSSCTSLCTSKCTSB
SCHEMBL7467137 0.85 TAS1R3 (0.49) CTSSCTSLCTSKTAS1R3TAS1R1
SCHEMBL6927425 0.85 CTSL (0.55) CTSSCTSLCTSKCTSB
SCHEMBL7468998 0.84 CTSK (0.65) CTSSCTSLCTSKTAS1R3TAS1R1
SCHEMBL7467469 0.83 CTSL (0.47) CTSSCTSLCTSKCTSB
SCHEMBL7467592 0.83 TAS1R3 (0.49) CTSSCTSLCTSKTAS1R3TAS1R1
SCHEMBL7473345 0.83 TAS1R3 (0.54) CTSSCTSLCTSKTAS1R3TAS1R1
SCHEMBL7467318 0.83 CTSL (0.53) CTSSCTSLCTSKCTSB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1067894-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-09-08 — — EP disclosed
US-6518267-B1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2003-02-11 — — US disclosed
EP-1067894-A2 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2001-01-17 — — EP disclosed
WO-1999059526-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-11-25 — — WO disclosed
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