Sugi Predict

Sugi Predict / Compounds / SCHEMBL4041020

SCHEMBL4041020

SCHEMBL4041020

CC(C)CC(NC(=O)c1ccc(-c2cccs2)cc1)C(=O)N1CCC2C1C(=O)CN2OC(=O)Nc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 12/20 0.54
▸ CTSS P25774 3/20 0.42
▸ CTSB P07858 1/20 0.41
▸ HPGDS O60760 1/20 0.41
▸ CTSL P07711 1/20 0.39
▸ CCR1 P32246 1/20 0.38
▸ MCHR1 Q99705 1/20 0.38
▸ DRD2 P14416 3/20 0.38
▸ DRD4 P21917 3/20 0.38
▸ HTR2A P28223 1/20 0.38

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
SCHEMBL4046312 0.92 CTSK (0.52) CTSKCTSSCTSBHPGDSCTSL
SCHEMBL4049527 0.89 CTSK (0.60) CTSKCTSSCTSBHPGDSCTSL
SCHEMBL4044462 0.88 CTSK (0.54) CTSKCTSSCTSBHPGDSCTSL
SCHEMBL4043955 0.88 CTSK (0.58) CTSKCTSSCTSBCTSLCCR1
SCHEMBL4042238 0.87 CTSK (0.70) CTSKCTSSCTSBCTSLCCR1
SCHEMBL4045501 0.87 CTSK (0.53) CTSKCTSSCTSBHPGDSCTSL
SCHEMBL4047208 0.87 CTSK (0.71) CTSKCTSSCTSBCTSLCCR1
SCHEMBL4048280 0.87 CTSK (0.56) CTSKCTSSCTSLCCR1
SCHEMBL4044248 0.86 CTSK (0.60) CTSKCTSSCTSL
SCHEMBL4043626 0.86 CTSK (0.48) CTSKCTSSCTSBHPGDS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 — — EP claimed