SCHEMBL6028072

SCHEMBL6028072

CC(CNC(=O)OC(C)(C)C)c1cccc(C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.46
CTSK P43235 5/20 0.46
KDM4D Q6B0I6 1/20 0.42
GPR139 Q6DWJ6 1/20 0.42
CNR1 P21554 7/20 0.41
KCNA5 P22460 2/20 0.41
CTSB P07858 3/20 0.40
CNR2 P34972 5/20 0.40
CTSL P07711 2/20 0.40
PTGES O14684 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
SCHEMBL30771381 0.86 CTSS (0.47) CTSSCTSKKDM4DGPR139CTSB
SCHEMBL31724229 0.85 CTSS (0.44) CTSSCTSKKDM4DGPR139KCNA5
SCHEMBL28508296 0.85 GRIA1 (0.47) CTSSCTSKCTSBCTSL
SCHEMBL31156795 0.81 AAK1 (0.44) CTSSCTSK
SCHEMBL25811680 0.81 AAK1 (0.44) CTSSCTSK
SCHEMBL31156775 0.81 AAK1 (0.44) CTSSCTSK
SCHEMBL16204368 0.81 CTSL (0.47) CTSSCTSKCTSL
SCHEMBL3063248 0.81 AAK1 (0.44) CTSSCTSK
SCHEMBL31156788 0.81 AAK1 (0.44) CTSSCTSK
SCHEMBL25811681 0.81 AAK1 (0.44) CTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1716150-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-11-02 EP disclosed
WO-2005070932-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2005-08-04 WO disclosed