SCHEMBL4729959

SCHEMBL4729959

CNCc1cc(NC(=O)C(C)(C)C2CC2)ncc1C

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.51
CNR1 P21554 5/20 0.48
ABL1 P00519 7/20 0.36
RAB9A P51151 1/20 0.36
TYK2 P29597 1/20 0.34

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
SCHEMBL4729137 0.81 CNR2 (0.80) CNR2CNR1
SCHEMBL14207395 0.78 CNR2 (0.60) CNR2CNR1ABL1RAB9A
SCHEMBL4729966 0.77 CNR2 (0.41) CNR2CNR1RAB9A
SCHEMBL14206664 0.76 CNR2 (0.58) CNR2CNR1
SCHEMBL4733275 0.74 CNR2 (0.58) CNR2CNR1
SCHEMBL4731778 0.73 GAA (0.46) CNR2CNR1ABL1RAB9A
SCHEMBL4734988 0.73 CNR2 (0.57) CNR2CNR1
SCHEMBL4733445 0.72 RAB9A (0.40) CNR2CNR1ABL1RAB9A
SCHEMBL4731997 0.71 CNR2 (0.52) CNR2CNR1
SCHEMBL4732935 0.71 CNR2 (0.77) 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 2 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 disclosed
WO-2008063625-A2 PYRIDINE COMPOUNDS AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2008-05-29 WO disclosed