SCHEMBL4039291

SCHEMBL4039291

CCN(c1ccccn1)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 19/20 0.57
USP30 Q70CQ3 1/20 0.50

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
SCHEMBL23253200 0.88 GPR119 (0.54) GPR119USP30
SCHEMBL1307415 0.86 GPR119 (0.60) GPR119USP30
SCHEMBL4386525 0.83 GPR119 (0.56) GPR119USP30
SCHEMBL652408 0.82 MEN1 (0.57) GPR119USP30
SCHEMBL20818479 0.81 GPR119 (0.50) GPR119
SCHEMBL5765543 0.80 GPR119 (0.56) GPR119
SCHEMBL4598395 0.79 GPR119 (0.51) GPR119USP30
SCHEMBL23360610 0.79 GPR119 (0.47) GPR119
SCHEMBL23360209 0.79 GPR119 (0.47) GPR119
SCHEMBL13326507 0.79 GPR119 (0.54) GPR119USP30

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-1613613-A4 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2009-03-25 EP disclosed
EP-1613613-A2 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-01-11 EP disclosed
WO-2004091518-A2 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2004-10-28 WO disclosed