SCHEMBL6027498

SCHEMBL6027498

Fc1cccc(COc2ccc(CNCCc3ccco3)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.52
BCHE P06276 6/20 0.51
MAOA P21397 1/20 0.47
SCN9A Q15858 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PPARA Q07869 1/20 0.47

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
SCHEMBL3423150 0.90 MEN1 (0.60) MAOBBCHEMAOASCN9AMEN1
SCHEMBL6028168 0.86 BCHE (0.55) MAOBBCHEMAOAMEN1KMT2A
SCHEMBL6027630 0.86 BCHE (0.70) BCHEMEN1KMT2A
SCHEMBL69973 0.84 BCHE (0.52) MAOBBCHEMAOAMEN1KMT2A
SCHEMBL5020048 0.79 MAOB (0.61) MAOBMAOASCN9APPARA
SCHEMBL3424913 0.77 MAOB (0.54) MAOBBCHEMAOASCN9APPARA
SCHEMBL3426476 0.75 MAOB (0.56) MAOBBCHEMAOAMEN1KMT2A
SCHEMBL11482232 0.75 MAOB (0.56) MAOBBCHEMAOASCN9A
SCHEMBL3426746 0.75 MAOB (0.52) MAOBBCHEMAOASCN9APPARA
SCHEMBL3420918 0.75 MAOB (0.61) MAOBMAOASCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1673356-A1 SUBSTITUTED BENZYLAMINOALKYLENE HETEROCYCLES Newron Pharmaceuticals S.p.A. (IT) 2006-06-28 EP claimed
WO-2005040138-A1 SUBSTITUTED BENZYLAMINOALKYLENE HETEROCYCLES NEWRON PHARMACEUTICALS S.P.A. (IT) 2005-05-06 WO claimed
EP-1673356-A1 SUBSTITUTED BENZYLAMINOALKYLENE HETEROCYCLES Newron Pharmaceuticals S.p.A. (IT) 2006-06-28 EP disclosed
WO-2005040138-A1 SUBSTITUTED BENZYLAMINOALKYLENE HETEROCYCLES NEWRON PHARMACEUTICALS S.P.A. (IT) 2005-05-06 WO disclosed