SCHEMBL286095

SCHEMBL286095

CCCCc1noc(C)c1COc1ncc(C(=O)NC(C)CO)s1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 13/20 0.43
L3MBTL1 Q9Y468 1/20 0.38
GABRA1 P14867 6/20 0.34

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
SCHEMBL285759 0.92 GABRA5 (0.41) GABRA5L3MBTL1GABRA1
SCHEMBL286071 0.85 GABRA5 (0.41) GABRA5L3MBTL1GABRA1
SCHEMBL285697 0.85 GABRA5 (0.38) GABRA5L3MBTL1GABRA1
SCHEMBL286220 0.85 GABRA5 (0.38) GABRA5L3MBTL1GABRA1
SCHEMBL285760 0.85 SLC8A1 (0.41) GABRA5L3MBTL1
SCHEMBL2749182 0.83 GAA (0.40) GABRA5L3MBTL1
SCHEMBL286096 0.82 KMT2A (0.39) GABRA5L3MBTL1
SCHEMBL7791577 0.80 GABRA5 (0.47) GABRA5GABRA1
SCHEMBL7791584 0.80 GABRA5 (0.47) GABRA5GABRA1
SCHEMBL7802104 0.80 GABRA5 (0.47) GABRA5GABRA1

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
EP-2427459-A1 ISOXAZOLE-THIAZOLE DERIVATIVES AS GABA A RECEPTOR INVERSE AGONISTS FOR USE IN THE TREATMENT OF COGNITIVE DISORDERS F. Hoffmann-La Roche AG (CH) 2012-03-14 EP claimed
EP-2427459-A1 ISOXAZOLE-THIAZOLE DERIVATIVES AS GABA A RECEPTOR INVERSE AGONISTS FOR USE IN THE TREATMENT OF COGNITIVE DISORDERS F. Hoffmann-La Roche AG (CH) 2012-03-14 EP disclosed