SCHEMBL7300033

SCHEMBL7300033

COCCn1nc(-c2ccc(OC/C=C/C(F)(F)F)cc2)oc1=O

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.43
GAA P10253 1/20 0.40
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 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
SCHEMBL3506406 1.00 MAOB (0.43) MAOBGAAGRIN1GRIN2B
SCHEMBL320161 0.82 MAOB (0.45) MAOBGAA
SCHEMBL3506409 0.79 KDM4E (0.33) MAOBGAA
SCHEMBL3506404 0.79 KDM4E (0.33) MAOBGAA
SCHEMBL7298728 0.78 MAOB (0.42) MAOBGAA
SCHEMBL3505301 0.78 MAOB (0.42) MAOBGAA
SCHEMBL7297318 0.76 MAOB (0.71) MAOB
SCHEMBL7302420 0.75 GAA (0.46) MAOBGAAGRIN1GRIN2B
SCHEMBL9424210 0.74 MAOB (0.57) MAOB
SCHEMBL3504974 0.70 MAOB (0.41) MAOBGRIN1GRIN2B

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-0655445-B1 1,3,4-oxadiazol-2(3H)-one Derivates, their preparation and their use as monoamine oxidase inhibitors SYNTHELABO (FR) 1997-08-27 EP claimed