SCHEMBL286071

SCHEMBL286071

CCCCc1noc(C)c1COc1ncc(C(=O)NCCO)s1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 8/20 0.41
GABRA1 P14867 2/20 0.41
SLC8A1 P32418 9/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL285760 0.94 SLC8A1 (0.41) GABRA5SLC8A1L3MBTL1
SCHEMBL285759 0.86 GABRA5 (0.41) GABRA5GABRA1L3MBTL1
SCHEMBL286095 0.85 GABRA5 (0.43) GABRA5GABRA1L3MBTL1
SCHEMBL2749182 0.85 GAA (0.40) GABRA5SLC8A1L3MBTL1
SCHEMBL7799568 0.79 SMPD1 (0.47) GABRA5GABRA1
SCHEMBL286247 0.79 GABRA5 (0.66) GABRA5GABRA1
SCHEMBL285941 0.79 GABRA5 (0.66) GABRA5GABRA1
SCHEMBL286228 0.79 ALDH1A1 (0.36) GABRA5L3MBTL1
SCHEMBL286096 0.78 KMT2A (0.39) GABRA5L3MBTL1
SCHEMBL286245 0.78 POLB (0.40) SLC8A1L3MBTL1

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