SCHEMBL4729964

SCHEMBL4729964

CCC(C)(C)C(=O)Nc1cc(CN2CCOCC2)c(Br)cn1

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 19/20 0.82
CNR1 P21554 6/20 0.82
TSHR P16473 1/20 0.43

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
SCHEMBL4732946 0.90 CNR2 (1.00) CNR2CNR1
SCHEMBL4733069 0.90 CNR2 (0.79) CNR2CNR1TSHR
SCHEMBL4730649 0.89 CNR2 (1.00) CNR2CNR1
SCHEMBL14206427 0.88 CNR2 (0.80) CNR2CNR1
SCHEMBL4729604 0.88 CNR2 (1.00) CNR2CNR1
SCHEMBL4731207 0.88 CNR2 (0.64) CNR2CNR1
SCHEMBL4733803 0.88 CNR2 (0.92) CNR2CNR1
SCHEMBL4732901 0.87 CNR2 (0.79) CNR2CNR1
SCHEMBL4731520 0.87 CNR2 (0.79) CNR2CNR1
SCHEMBL4729060 0.87 CNR2 (0.79) 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