SCHEMBL4732274

SCHEMBL4732274

CCC1(C(=O)Nc2cc(CN3CCCOCC3)c3c(n2)CCC3)CCCC1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 15/20 0.66
CNR1 P21554 5/20 0.66
ACHE P22303 2/20 0.38
MOK Q9UQ07 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
APP P05067 1/20 0.36
BCHE P06276 1/20 0.36

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
SCHEMBL4730803 0.97 CNR2 (0.69) CNR2CNR1ACHEMEN1KMT2A
SCHEMBL4733410 0.96 CNR2 (0.69) CNR2CNR1ACHEMEN1KMT2A
SCHEMBL4731900 0.95 CNR2 (0.69) CNR2CNR1ACHEAPPBCHE
SCHEMBL4730540 0.83 CNR2 (0.51) CNR2CNR1ACHEMOK
SCHEMBL4729561 0.82 CNR2 (0.62) CNR2CNR1
SCHEMBL14207124 0.81 CNR2 (0.47) CNR2CNR1ACHE
SCHEMBL4735445 0.80 CNR2 (0.53) CNR2CNR1ACHE
SCHEMBL4732987 0.79 CNR2 (1.00) CNR2CNR1MEN1KMT2AATM
SCHEMBL4735427 0.79 CNR2 (0.66) CNR2CNR1
SCHEMBL4732146 0.79 CNR2 (0.66) 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