SCHEMBL286181

SCHEMBL286181

Cc1onc(-c2ccc(F)cn2)c1COc1cc(C(=O)OCC(N)=O)[nH]n1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 19/20 0.57
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41

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
SCHEMBL286290 0.89 GABRA5 (0.69) GABRA5
SCHEMBL286487 0.87 GABRA5 (0.68) GABRA5GABRG2GABRB3
SCHEMBL285770 0.84 GABRA5 (0.61) GABRA5
SCHEMBL285988 0.83 GABRA5 (0.58) GABRA5
SCHEMBL285905 0.83 GABRA5 (0.59) GABRA5
SCHEMBL286552 0.83 GABRA5 (0.56) GABRA5
SCHEMBL286529 0.83 GABRA5 (0.54) GABRA5
SCHEMBL286180 0.82 GABRA5 (0.72) GABRA5
SCHEMBL285771 0.82 GABRA5 (0.62) GABRA5
SCHEMBL285909 0.82 GABRA5 (0.74) GABRA5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163728-B2 Pyrazoles HOFFMANN-LA ROCHE INC. (US) 2012-04-24 US disclosed
EP-2427455-A1 ISOXAZOLE-PYRAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-03-14 EP disclosed