SCHEMBL7806106

SCHEMBL7806106

CC(=O)C(NC(=O)Cc1cccc(-c2ccccn2)c1)NC(=O)[C@H](CC(C)C)NC(=O)c1cccs1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HSPA5 P11021 5/20 0.49
▸ HSPA2 P54652 2/20 0.49
▸ CTSL P07711 5/20 0.44
▸ CTSB P07858 2/20 0.44
▸ CTSS P25774 2/20 0.44
▸ HSPA1A P0DMV8 1/20 0.41
▸ HSPA9 P38646 1/20 0.41
▸ CTSK P43235 5/20 0.41
▸ HPGD P15428 1/20 0.38
▸ PSMB5 P28074 1/20 0.38
▸ SCN9A Q15858 1/20 0.38
▸ CNR2 P34972 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ UTS2R Q9UKP6 1/20 0.37

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
SCHEMBL7813672 0.89 HSPA5 (0.49) HSPA5HSPA2CTSLCTSBCTSS
SCHEMBL7609373 0.85 HSPA5 (0.49) HSPA5HSPA2CTSLCTSBCTSS
SCHEMBL6620163 0.85 HSPA5 (0.49) HSPA5HSPA2CTSLCTSBCTSS
SCHEMBL7813767 0.80 CTSL (0.43) CTSLCTSBCTSSCTSKSCN9A
SCHEMBL7815998 0.80 CTSS (0.44) CTSLCTSBCTSSCTSKSCN9A
SCHEMBL14345770 0.73 TAS1R3 (0.50) CTSLCTSBCTSSCTSKCNR2
SCHEMBL7819709 0.73 CTSL (0.43) CTSLCTSBCTSSCTSK
SCHEMBL7467592 0.72 TAS1R3 (0.49) CTSLCTSBCTSSCTSKCNR2
SCHEMBL7463889 0.72 CTSL (0.49) CTSLCTSBCTSSCTSKPSMB5
SCHEMBL6927425 0.72 CTSL (0.55) CTSLCTSBCTSSCTSKCNR2

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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