SCHEMBL3685596

SCHEMBL3685596

CN(C)CCN(C)c1cccc(C=CC(=O)c2ccccc2Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.52
PTGS2 P35354 1/20 0.52
CXCL12 P48061 2/20 0.52
MAOB P27338 14/20 0.43
MAOA P21397 3/20 0.42
HSP90AA1 P07900 1/20 0.42
BCHE P06276 1/20 0.42
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL3691669 1.00 PTGS1 (0.52) PTGS1PTGS2CXCL12MAOBMAOA
SCHEMBL3690691 0.89 CXCL12 (0.52) CXCL12MAOBMAOAMEN1NPC1
SCHEMBL3686655 0.89 CXCL12 (0.52) CXCL12MAOBMAOAMEN1NPC1
SCHEMBL3697640 0.86 MAOB (0.43) MAOBMAOAHSP90AA1BCHEMEN1
SCHEMBL3694293 0.86 MAOB (0.43) MAOBMAOAHSP90AA1BCHEMEN1
SCHEMBL3685872 0.85 MAOB (0.42) MAOBMAOAHSP90AA1BCHEMEN1
SCHEMBL3690207 0.83 BCHE (0.54) MAOBBCHENPC1MAPTRAB9A
SCHEMBL3687867 0.83 BCHE (0.54) MAOBBCHENPC1MAPTRAB9A
SCHEMBL3688869 0.82 MAOB (0.60) CXCL12MAOBMAOABCHENPC1
SCHEMBL3689808 0.82 MAOB (0.60) CXCL12MAOBMAOABCHENPC1

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 7 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
EP-1506158-A2 DIAMINO-FUNCTIONAL CHALCONES Lica Pharmaceuticals A/S (DK) 2005-02-16 EP claimed
WO-2003097576-A2 DIAMINO-FUNCTIONAL CHALCONES LICA PHARMACEUTICALS A/S (DK) 2003-11-27 WO 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
EP-1506158-A2 DIAMINO-FUNCTIONAL CHALCONES Lica Pharmaceuticals A/S (DK) 2005-02-16 EP disclosed
WO-2003097576-A2 DIAMINO-FUNCTIONAL CHALCONES LICA PHARMACEUTICALS A/S (DK) 2003-11-27 WO disclosed