SCHEMBL4731207

SCHEMBL4731207

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

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 15/20 0.64
CNR1 P21554 4/20 0.64
BRD4 O60885 1/20 0.43
GSK3B P49841 2/20 0.38
DYRK1A Q13627 2/20 0.38
FGFR4 P22455 1/20 0.38
WNT1 P04628 1/20 0.37

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
SCHEMBL4731049 0.89 CNR2 (0.61) CNR2CNR1
SCHEMBL4734575 0.89 CNR2 (0.78) CNR2CNR1BRD4GSK3BDYRK1A
SCHEMBL4734972 0.88 CNR2 (0.62) CNR2CNR1BRD4
SCHEMBL4729964 0.88 CNR2 (0.82) CNR2CNR1
SCHEMBL14206639 0.87 CNR2 (0.59) CNR2CNR1GSK3BDYRK1AWNT1
SCHEMBL4730417 0.86 CNR2 (0.60) CNR2CNR1
SCHEMBL14206656 0.86 CNR2 (0.57) CNR2CNR1
SCHEMBL4732966 0.81 CNR2 (0.80) CNR2CNR1BRD4
SCHEMBL4731510 0.81 CNR2 (0.55) CNR2CNR1BRD4
SCHEMBL14206637 0.80 CNR2 (0.54) CNR2CNR1BRD4

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