SCHEMBL4125324

SCHEMBL4125324

O=CN1CCOC(c2ccc(-c3cc(Cl)nc(Cl)c3)cc2)C1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.40
CNR2 P34972 6/20 0.37
SLC6A3 Q01959 1/20 0.35
KCNH2 Q12809 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
CYP1A2 P05177 3/20 0.35
CYP2D6 P10635 3/20 0.35
SYK P43405 1/20 0.33
PDE10A Q9Y233 1/20 0.33

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
SCHEMBL4256479 0.78 CHRNB2 (0.37) SLC6A3KCNH2TAAR1
SCHEMBL295269 0.76 CNR2 (0.46) GSK3BCNR2CYP1A2CYP2D6
SCHEMBL20549681 0.76 CNR2 (0.34) CNR2
SCHEMBL1633511 0.76 DRD3 (0.36) CNR2
SCHEMBL3120324 0.76 NPC1 (0.36) CNR2SLC6A3
SCHEMBL5348965 0.72 SLC2A1 (0.45)
SCHEMBL16344786 0.71 PTGS2 (0.49) CNR2
SCHEMBL17004633 0.69 KCNH2 (0.53) CNR2KCNH2PDE10A
SCHEMBL1744043 0.69 HDAC4 (0.39)
SCHEMBL16136726 0.69 MEN1 (0.40) GSK3BCNR2CYP1A2CYP2D6PDE10A

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
EP-1805142-A4 NOVEL PYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM REDDY US THERAPEUTICS INC (US) 2009-06-10 EP disclosed
EP-1805142-A2 NOVEL PYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM Reddy US Therapeutics, Inc. (US) 2007-07-11 EP disclosed
WO-2006034474-A2 NOVEL PYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM REDDY US THERAPEUTICS, INC. (US) 2006-03-30 WO disclosed