SCHEMBL1628323

SCHEMBL1628323

CCOC(=O)C(=O)Nc1c(C(=O)C(C)(C)C)oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc12

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 20/20 0.76
CNR2 P34972 18/20 0.76
GABRA1 P14867 2/20 0.67
GABRB1 P18505 2/20 0.67
GABRA5 P31644 2/20 0.67
GABRA3 P34903 2/20 0.67
GABRA2 P47869 2/20 0.67
GABRB2 P47870 2/20 0.67
GABRA4 P48169 2/20 0.67
GABRA6 Q16445 2/20 0.67
KCNH2 Q12809 1/20 0.67

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
SCHEMBL5246782 0.88 CNR1 (0.83) CNR1CNR2GABRA1GABRB1GABRA5
SCHEMBL5249058 0.88 CNR1 (0.86) CNR1CNR2GABRA1GABRB1GABRA5
SCHEMBL5249166 0.86 CNR1 (1.00) CNR1CNR2GABRA1GABRB1GABRA5
SCHEMBL1628698 0.86 CNR1 (1.00) CNR1CNR2GABRA1GABRB1GABRA5
SCHEMBL1627689 0.85 CNR1 (0.88) CNR1CNR2GABRA1GABRB1GABRA5
SCHEMBL1628154 0.85 CNR1 (0.79) CNR1CNR2GABRA1GABRB1GABRA5
SCHEMBL1628212 0.85 CNR1 (0.81) CNR1CNR2GABRA1GABRB1GABRA5
SCHEMBL1629988 0.85 CNR1 (0.84) CNR1CNR2GABRA1GABRB1GABRA5
SCHEMBL5249483 0.85 CNR1 (0.87) CNR1CNR2GABRA1GABRB1GABRA5
SCHEMBL1628214 0.84 CNR1 (1.00) CNR1CNR2GABRA1GABRB1GABRA5

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4667867-B2 2011-04-13 JP claimed
EP-1558252-B1 SUBSTITUTED FURO [2,3-B]PYRIDINE DERIVATIVES MERCK & CO INC (US) 2007-10-10 EP claimed
EP-1558252-A4 SUBSTITUTED FURO 2,3-B| PYRIDINE DERIVATIVES MERCK & CO INC (US) 2006-05-17 EP claimed
JP-2005538120-A 2005-12-15 JP claimed
EP-1558252-A2 SUBSTITUTED FURO 2,3-B] PYRIDINE DERIVATIVES Merck & Co., Inc. (US) 2005-08-03 EP claimed
WO-2004012671-A2 SUBSTITUTED FURO [2,3-B] PYRIDINE DERIVATIVES MERCK & CO., INC. (US) 2004-02-12 WO claimed