SCHEMBL7819335

SCHEMBL7819335

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

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 3/20 0.35
▸ CTSB P07858 2/20 0.35
▸ CTSS P25774 2/20 0.35
▸ CTSK P43235 4/20 0.35
▸ CTNNB1 P35222 4/20 0.35
▸ WNT3A P56704 4/20 0.35
▸ SLC6A9 P48067 3/20 0.32
▸ F2 P00734 1/20 0.32
▸ F10 P00742 1/20 0.32
▸ PRSS1 P07477 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ FFAR1 O14842 1/20 0.31
▸ LARS1 Q9P2J5 1/20 0.31
▸ ESR1 P03372 1/20 0.31
▸ NAMPT P43490 1/20 0.31

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
SCHEMBL7611777 0.83 CTSK (0.35) CTSLCTSBCTSSCTSKCTNNB1
SCHEMBL7813767 0.79 CTSL (0.43) CTSLCTSBCTSSCTSKCTNNB1
SCHEMBL7812729 0.75 CYP3A4 (0.36) CTSLCTSBCTSSCTSKSLC6A9
SCHEMBL7611780 0.75 CTSL (0.46) CTSLCTSBCTSSCTSKCTNNB1
SCHEMBL7609927 0.72 CTSL (0.36) CTSLCTSBCTSSCTSKSLC6A9
SCHEMBL7815927 0.72 CYP3A4 (0.35) CTSLCTSBCTSSCTSKMEN1
SCHEMBL7617860 0.72 CYP3A4 (0.36) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL6623377 0.67 CTSL (0.47) CTSLCTSBCTSSCTSKMEN1
SCHEMBL7812726 0.67 CYP3A4 (0.35) CTSLCTSBCTSSCTSKSLC6A9
SCHEMBL7618533 0.67 GBA1 (0.38) CTSLCTSBCTSSCTSKSLC6A9

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 3 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 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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