SCHEMBL5246997

SCHEMBL5246997

CC(C)(C)C(=O)c1oc2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc2c1NC(=O)CCC(=O)O

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 20/20 0.74
GABRA1 P14867 2/20 0.74
GABRB1 P18505 2/20 0.74
GABRA5 P31644 2/20 0.74
GABRA3 P34903 2/20 0.74
GABRA2 P47869 2/20 0.74
GABRB2 P47870 2/20 0.74
GABRA4 P48169 2/20 0.74
GABRA6 Q16445 2/20 0.74
CNR2 P34972 18/20 0.71
KCNH2 Q12809 1/20 0.63

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
SCHEMBL1628319 0.93 CNR1 (0.76) CNR1GABRA1GABRB1GABRA5GABRA3
SCHEMBL5249755 0.92 CNR1 (0.84) CNR1GABRA1GABRB1GABRA5GABRA3
SCHEMBL1629780 0.91 CNR1 (0.88) CNR1GABRA1GABRB1GABRA5GABRA3
SCHEMBL5249702 0.91 CNR1 (0.73) CNR1GABRA1GABRB1GABRA5GABRA3
SCHEMBL5250910 0.91 CNR1 (0.73) CNR1GABRA1GABRB1GABRA5GABRA3
SCHEMBL1628975 0.88 CNR1 (0.74) CNR1GABRA1GABRB1GABRA5GABRA3
SCHEMBL4941030 0.88 CNR1 (0.73) CNR1GABRA1GABRB1GABRA5GABRA3
SCHEMBL14395110 0.87 CNR1 (0.68) CNR1GABRA1GABRB1GABRA5GABRA3
SCHEMBL5249224 0.87 CNR1 (0.84) CNR1GABRA1GABRB1GABRA5GABRA3
SCHEMBL1628949 0.86 CNR1 (0.72) CNR1GABRA1GABRB1GABRA5GABRA3

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