SCHEMBL7813767

SCHEMBL7813767

CC(=O)C(NC(=O)Cc1cccc(-c2ccccn2)c1)NC(=O)[C@H](CC(C)C)NC(=O)c1ccc2ocnc2c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 7/20 0.43
▸ CTSS P25774 6/20 0.43
▸ CTSB P07858 4/20 0.43
▸ CTSK P43235 8/20 0.39
▸ TAS1R3 Q7RTX0 3/20 0.37
▸ TAS1R1 Q7RTX1 3/20 0.37
▸ CTNNB1 P35222 1/20 0.36
▸ WNT3A P56704 1/20 0.36
▸ PSMB10 P40306 1/20 0.35
▸ PSMB2 P49721 1/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ NAMPT P43490 1/20 0.35
▸ CTSV O60911 1/20 0.35
▸ F2 P00734 1/20 0.35
▸ F10 P00742 1/20 0.35
▸ PRSS1 P07477 1/20 0.35
▸ CNR2 P34972 1/20 0.35

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
SCHEMBL7611780 0.87 CTSL (0.46) CTSLCTSSCTSBCTSKTAS1R3
SCHEMBL7815998 0.81 CTSS (0.44) CTSLCTSSCTSBCTSKTAS1R3
SCHEMBL7806106 0.80 HSPA5 (0.49) CTSLCTSSCTSBCTSKSCN9A
SCHEMBL7819335 0.79 CTSL (0.35) CTSLCTSSCTSBCTSKCTNNB1
SCHEMBL7462272 0.74 CTSL (0.50) CTSLCTSSCTSBCTSKTAS1R3
SCHEMBL7819709 0.74 CTSL (0.43) CTSLCTSSCTSBCTSKTAS1R3
SCHEMBL6927425 0.73 CTSL (0.55) CTSLCTSSCTSBCTSKCTSV
SCHEMBL7611777 0.72 CTSK (0.35) CTSLCTSSCTSBCTSKCTNNB1
SCHEMBL7473345 0.72 TAS1R3 (0.54) CTSLCTSSCTSBCTSKTAS1R3
SCHEMBL6927525 0.72 CTSL (0.49) CTSLCTSSCTSBCTSKCTSV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1068304-A4 TREATMENT OF PARASITIC DISEASES BY INHIBITION OF CYSTEINE PROTEASES OF THE PAPAIN SUPERFAMILY SMITHKLINE BEECHAM CORP (US) 2001-05-09 — — EP claimed
EP-1068304-A1 TREATMENT OF PARASITIC DISEASES BY INHIBITION OF CYSTEINE PROTEASES OF THE PAPAIN SUPERFAMILY SMITHKLINE BEECHAM CORPORATION (US) 2001-01-17 — — EP claimed
WO-1999053039-A1 TREATMENT OF PARASITIC DISEASES BY INHIBITION OF CYSTEINE PROTEASES OF THE PAPAIN SUPERFAMILY SMITHKLINE BEECHAM CORPORATION (US) 1999-10-21 — — WO claimed
EP-1068304-A4 TREATMENT OF PARASITIC DISEASES BY INHIBITION OF CYSTEINE PROTEASES OF THE PAPAIN SUPERFAMILY SMITHKLINE BEECHAM CORP (US) 2001-05-09 — — EP disclosed
EP-1068304-A1 TREATMENT OF PARASITIC DISEASES BY INHIBITION OF CYSTEINE PROTEASES OF THE PAPAIN SUPERFAMILY SMITHKLINE BEECHAM CORPORATION (US) 2001-01-17 — — EP disclosed
WO-1999053039-A1 TREATMENT OF PARASITIC DISEASES BY INHIBITION OF CYSTEINE PROTEASES OF THE PAPAIN SUPERFAMILY SMITHKLINE BEECHAM CORPORATION (US) 1999-10-21 — — WO disclosed
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