SCHEMBL7816461

SCHEMBL7816461

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.46
CTSB P07858 1/20 0.46
CTSS P25774 1/20 0.46
PRMT5 O14744 5/20 0.43
WDR77 Q9BQA1 5/20 0.43
CTSK P43235 1/20 0.43
FFAR1 O14842 1/20 0.41
WNT3A P56704 7/20 0.41
POLB P06746 1/20 0.40
HPGDS O60760 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL6670617 0.89 CTSL (0.46) CTSLCTSBCTSSPRMT5WDR77
SCHEMBL6670621 0.89 CTSL (0.46) CTSLCTSBCTSSPRMT5WDR77
SCHEMBL7616026 0.89 CTSL (0.46) CTSLCTSBCTSSPRMT5WDR77
SCHEMBL6926995 0.84 PRMT5 (0.49) CTSLCTSBCTSSPRMT5WDR77
SCHEMBL6623377 0.83 CTSL (0.47) CTSLCTSBCTSSPRMT5WDR77
SCHEMBL7611319 0.81 CTSL (0.45) CTSLCTSBCTSSPRMT5WDR77
SCHEMBL7816127 0.80 CTSL (0.44) CTSLCTSBCTSSCTSKFFAR1
SCHEMBL10242894 0.79 CYP4F2 (0.50) CTSLCTSBCTSSCTSKFFAR1
SCHEMBL7618089 0.79 CTSL (0.45) CTSLCTSBCTSSPRMT5WDR77
SCHEMBL7408937 0.79 FFAR1 (0.49) CTSLCTSBCTSSFFAR1WNT3A

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