SCHEMBL1629024

SCHEMBL1629024

CC(=O)Nc1c(C(=O)C(C)(C)O)oc2cc(-c3ccccc3Cl)c(-c3ccc(C#N)cc3)cc12

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 12/20 0.62
CNR2 P34972 10/20 0.62
GABRA1 P14867 2/20 0.51
GABRB1 P18505 2/20 0.51
GABRA5 P31644 2/20 0.51
GABRA3 P34903 2/20 0.51
GABRA2 P47869 2/20 0.51
GABRB2 P47870 2/20 0.51
GABRA4 P48169 2/20 0.51
GABRA6 Q16445 2/20 0.51
KCNH2 Q12809 1/20 0.51
KDM4E B2RXH2 5/20 0.38
MAPK1 P28482 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
DHODH Q02127 2/20 0.36
HTT P42858 1/20 0.35
EPAS1 Q99814 1/20 0.35

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
SCHEMBL1629023 0.87 CNR1 (0.82) CNR1CNR2GABRA1GABRB1GABRA5
SCHEMBL1627375 0.76 CNR1 (1.00) CNR1CNR2GABRA1GABRB1GABRA5
SCHEMBL5247347 0.76 CNR1 (0.75) CNR1CNR2GABRA1GABRB1GABRA5
SCHEMBL1628979 0.74 CNR1 (0.81) CNR1CNR2GABRA1GABRB1GABRA5
SCHEMBL1629620 0.74 CNR1 (0.84) CNR1CNR2GABRA1GABRB1GABRA5
SCHEMBL1628285 0.73 CNR1 (0.79) CNR1CNR2GABRA1GABRB1GABRA5
SCHEMBL5248660 0.72 CNR1 (0.80) CNR1CNR2GABRA1GABRB1GABRA5
SCHEMBL1628698 0.70 CNR1 (1.00) CNR1CNR2GABRA1GABRB1GABRA5
SCHEMBL5778268 0.70 CNR1 (0.53) CNR1CNR2GABRA1GABRB1GABRA5
SCHEMBL1627753 0.69 CNR1 (0.86) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4667867-B2 2011-04-13 JP 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