SCHEMBL27619656

SCHEMBL27619656

NNC(=O)C(=O)Nc1ccc(OCc2cccc(F)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.61
PARP10 Q53GL7 1/20 0.61
NR4A2 P43354 2/20 0.59
MAOA P21397 1/20 0.54
SCN9A Q15858 1/20 0.54
PPARA Q07869 1/20 0.53
F10 P00742 1/20 0.52

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
SCHEMBL4350555 0.86 MAOB (0.60) MAOBPARP10NR4A2MAOASCN9A
SCHEMBL4345295 0.85 LTA4H (0.71) MAOBPARP10NR4A2MAOASCN9A
Hydrochloric Acid SCHEMBL5618518 0.84 LTA4H (0.69) MAOBPARP10NR4A2MAOASCN9A
SCHEMBL3504082 0.82 MAOB (0.64) MAOBPARP10NR4A2MAOASCN9A
SCHEMBL4345300 0.81 MAOB (0.59) MAOBPARP10NR4A2MAOASCN9A
SCHEMBL31703476 0.81 NR4A2 (0.60) MAOBPARP10NR4A2MAOASCN9A
SCHEMBL6438683 0.81 NR4A2 (0.64) MAOBPARP10NR4A2PPARAF10
SCHEMBL24968494 0.80 NR4A2 (0.59) MAOBPARP10NR4A2PPARAF10
SCHEMBL4338595 0.80 MMP1 (0.61) MAOBPARP10NR4A2MAOAPPARA
SCHEMBL3504412 0.80 MAOB (0.65) MAOBPARP10NR4A2MAOASCN9A

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
CN-100482638-C N-acylaminobenzene dervatives as selective monoamine oxidase b inhibitors HOFFMANN LA ROCHE (CH) 2009-04-29 CN disclosed
CN-1656057-A N-acylaminobenzene dervatives as selective monoamine oxidase b inhibitors HOFFMANN LA ROCHE (CH) 2005-08-17 CN disclosed