SCHEMBL2668528

SCHEMBL2668528

CN1CCNCC1COC=O

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.35
AURKB Q96GD4 2/20 0.35

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
SCHEMBL1922084 0.78 SLC6A2 (0.41) SYKAURKB
SCHEMBL3436800 0.78 SLC6A2 (0.41) SYKAURKB
SCHEMBL15134687 0.78 SLC6A2 (0.41) SYKAURKB
Hydrochloric Acid SCHEMBL31535515 0.77 CYP2D6 (0.40) SYKAURKB
Hydrochloric Acid SCHEMBL9582248 0.77 CYP2D6 (0.40) SYKAURKB
Hydrochloric Acid SCHEMBL31535360 0.77 CYP2D6 (0.40) SYKAURKB
Hydrochloric Acid SCHEMBL16195604 0.77 CYP2D6 (0.40) SYKAURKB
SCHEMBL31535240 0.75 CYP2D6 (0.43) SYKAURKB
SCHEMBL3431032 0.75 SYK (0.34) SYKAURKB
SCHEMBL25080939 0.74 SMN1; SMN2 (0.36) SYKAURKB

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-2508524-A2 Indole compound Takeda Pharmaceutical Company Limited (JP) 2012-10-10 EP disclosed
WO-2008050821-A1 INDOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-02 WO disclosed