SCHEMBL4734575

SCHEMBL4734575

CCC(C)(C)C(=O)Nc1cc(CN2CCN(C)CC2)c(C)cn1

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 16/20 0.78
CNR1 P21554 5/20 0.78
BRD4 O60885 1/20 0.43
EGFR P00533 2/20 0.40
BRAF P15056 2/20 0.40
GSK3B P49841 1/20 0.39
DYRK1A Q13627 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
SCHEMBL4732966 0.92 CNR2 (0.80) CNR2CNR1BRD4
SCHEMBL4730792 0.91 CNR2 (0.82) CNR2CNR1GSK3BDYRK1A
SCHEMBL4734554 0.90 CNR2 (0.80) CNR2CNR1GSK3BDYRK1A
SCHEMBL14206964 0.89 CNR2 (0.76) CNR2CNR1
SCHEMBL4730047 0.89 CNR2 (0.76) CNR2CNR1BRD4
SCHEMBL4731207 0.89 CNR2 (0.64) CNR2CNR1BRD4GSK3BDYRK1A
SCHEMBL4730649 0.88 CNR2 (1.00) CNR2CNR1
SCHEMBL14206657 0.88 CNR2 (0.77) CNR2CNR1BRD4
SCHEMBL4730074 0.88 CNR2 (0.77) CNR2CNR1
SCHEMBL4733600 0.87 CNR2 (0.76) CNR2CNR1

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
WO-2008063625-A2 PYRIDINE COMPOUNDS AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2008-05-29 WO claimed
WO-2008063625-A2 PYRIDINE COMPOUNDS AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2008-05-29 WO disclosed
WO-2008063625-A2 PYRIDINE COMPOUNDS AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2008-05-29 WO disclosed