SCHEMBL7869405

SCHEMBL7869405

Cc1onc(-c2ccc(F)cc2)c1COc1cc(C(=O)N[C@@H]2CCCC2C)n(C)n1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 19/20 0.63
GABRG2 P18507 1/20 0.49
GABRB3 P28472 1/20 0.49
GABRA1 P14867 1/20 0.49

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
SCHEMBL2099601 0.93 GABRA5 (0.73) GABRA5GABRA1
SCHEMBL2628066 0.93 GABRA5 (0.73) GABRA5GABRA1
SCHEMBL300061 0.93 GABRA5 (0.73) GABRA5GABRA1
SCHEMBL286327 0.85 GABRA5 (0.71) GABRA5GABRA1
SCHEMBL286466 0.84 GABRA5 (0.67) GABRA5GABRA1
SCHEMBL286291 0.84 GABRA5 (0.68) GABRA5GABRA1
SCHEMBL286462 0.82 GABRA5 (0.54) GABRA5GABRG2GABRB3GABRA1
SCHEMBL286356 0.82 GABRA5 (0.54) GABRA5GABRG2GABRB3GABRA1
SCHEMBL286126 0.82 GABRA5 (0.54) GABRA5GABRG2GABRB3GABRA1
SCHEMBL286344 0.82 GABRA5 (0.67) GABRA5GABRG2GABRB3GABRA1

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
WO-2010127975-A1 ISOXAZOLE-PYRAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-11-11 WO disclosed