SCHEMBL5247352

SCHEMBL5247352

CC(C)(C)C(=O)c1oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc2c1C(=O)O

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 20/20 0.77
CNR2 P34972 18/20 0.77
GABRA1 P14867 2/20 0.61
GABRB1 P18505 2/20 0.61
GABRA5 P31644 2/20 0.61
GABRA3 P34903 2/20 0.61
GABRA2 P47869 2/20 0.61
GABRB2 P47870 2/20 0.61
GABRA4 P48169 2/20 0.61
GABRA6 Q16445 2/20 0.61
KCNH2 Q12809 1/20 0.61

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
SCHEMBL13070306 0.92 CNR1 (0.77) CNR1CNR2GABRA1GABRB1GABRA5
SCHEMBL13070816 0.92 CNR1 (0.80) CNR1CNR2GABRA1GABRB1GABRA5
SCHEMBL1627866 0.89 CNR1 (0.73) CNR1CNR2GABRA1GABRB1GABRA5
SCHEMBL1627671 0.88 CNR1 (0.80) CNR1CNR2GABRA1GABRB1GABRA5
SCHEMBL1628834 0.88 CNR1 (0.80) CNR1CNR2GABRA1GABRB1GABRA5
SCHEMBL3399746 0.87 CNR1 (0.66) CNR1CNR2GABRA1GABRB1GABRA5
SCHEMBL1626786 0.87 CNR1 (0.69) CNR1CNR2GABRA1GABRB1GABRA5
SCHEMBL1628616 0.87 CNR1 (1.00) CNR1CNR2GABRA1GABRB1GABRA5
SCHEMBL5247477 0.87 CNR1 (0.78) CNR1CNR2GABRA1GABRB1GABRA5
SCHEMBL14028332 0.86 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1558252-B1 SUBSTITUTED FURO [2,3-B]PYRIDINE DERIVATIVES MERCK & CO INC (US) 2007-10-10 EP claimed