SCHEMBL3685872

SCHEMBL3685872

CN(C)CCN(C)c1cccc(C=CC(=O)c2ccccc2CN(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 12/20 0.42
MAOA P21397 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
HSP90AA1 P07900 1/20 0.41
BCHE P06276 3/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL3691944 0.87 MAPT (0.51) MAOBMAOAHDAC3HDAC4HDAC1
SCHEMBL3688010 0.87 MAPT (0.51) MAOBMAOAHDAC3HDAC4HDAC1
SCHEMBL3691227 0.86 MEN1 (0.38) MAOBMAOAHDAC3HDAC4HDAC1
SCHEMBL3694293 0.85 MAOB (0.43) MAOBMAOAHSP90AA1BCHEMEN1
SCHEMBL3685596 0.85 PTGS1 (0.52) MAOBMAOAHSP90AA1BCHEMEN1
SCHEMBL3691669 0.85 PTGS1 (0.52) MAOBMAOAHSP90AA1BCHEMEN1
SCHEMBL3697640 0.85 MAOB (0.43) MAOBMAOAHSP90AA1BCHEMEN1
SCHEMBL3683956 0.83 HDAC3 (0.66) MAOBMAOAHDAC3HDAC4HDAC1
SCHEMBL3689343 0.82 P4HB (0.43) BCHEMAPTACHE
SCHEMBL3690207 0.82 BCHE (0.54) MAOBHDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060235073-A1 Diamino-functional chalcones LICA PHARMACEUTICALS A/S (DK) 2006-10-19 US claimed
US-7642367-B2 Diamino-functional chalcones LICA PHARMACEUTICALS A/S (DK) 2010-01-05 US disclosed
US-20060235073-A1 Diamino-functional chalcones LICA PHARMACEUTICALS A/S (DK) 2006-10-19 US disclosed