SCHEMBL5750442

SCHEMBL5750442

CC(=O)Cc1oc2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc2c1N

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 20/20 0.72
CNR2 P34972 16/20 0.72
GABRA1 P14867 1/20 0.52
GABRB1 P18505 1/20 0.52
GABRA5 P31644 1/20 0.52
GABRA3 P34903 1/20 0.52
GABRA2 P47869 1/20 0.52
GABRB2 P47870 1/20 0.52
GABRA4 P48169 1/20 0.52
GABRA6 Q16445 1/20 0.52

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
SCHEMBL1628010 0.84 CNR1 (1.00) CNR1CNR2GABRA1GABRB1GABRA5
SCHEMBL1628012 0.83 CNR1 (0.62) CNR1CNR2GABRA1GABRB1GABRA5
SCHEMBL5249113 0.83 CNR1 (0.82) CNR1CNR2GABRA1GABRB1GABRA5
SCHEMBL1628503 0.81 CNR1 (0.60) CNR1CNR2GABRA1GABRB1GABRA5
SCHEMBL5247000 0.81 CNR1 (1.00) CNR1CNR2GABRA1GABRB1GABRA5
SCHEMBL1627687 0.81 CNR1 (0.62) CNR1CNR2GABRA1GABRB1GABRA5
SCHEMBL1628719 0.81 CNR1 (0.62) CNR1CNR2GABRA1GABRB1GABRA5
SCHEMBL1628716 0.79 CNR1 (1.00) CNR1CNR2GABRA1GABRB1GABRA5
SCHEMBL1627685 0.79 CNR1 (1.00) CNR1CNR2GABRA1GABRB1GABRA5
SCHEMBL1629570 0.79 CNR1 (0.77) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1558252-A4 SUBSTITUTED FURO 2,3-B| PYRIDINE DERIVATIVES MERCK & CO INC (US) 2006-05-17 EP disclosed
EP-1558252-A2 SUBSTITUTED FURO 2,3-B] PYRIDINE DERIVATIVES Merck & Co., Inc. (US) 2005-08-03 EP disclosed
WO-2004012671-A2 SUBSTITUTED FURO [2,3-B] PYRIDINE DERIVATIVES MERCK & CO., INC. (US) 2004-02-12 WO disclosed