SCHEMBL3681707

SCHEMBL3681707

CN(C)CCNc1cccc(C(=O)C=Cc2cc(-c3ccccc3)cc(N3CCN(C)CC3)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 11/20 0.50
HDAC4 P56524 11/20 0.50
HDAC1 Q13547 11/20 0.50
HDAC7 Q8WUI4 11/20 0.50
HDAC2 Q92769 11/20 0.50
HDAC10 Q969S8 11/20 0.50
HDAC11 Q96DB2 11/20 0.50
HDAC8 Q9BY41 11/20 0.50
HDAC6 Q9UBN7 11/20 0.50
HDAC9 Q9UKV0 11/20 0.50
HDAC5 Q9UQL6 11/20 0.50
PRKD1 Q15139 1/20 0.42
HTR7 P34969 2/20 0.42
BCHE P06276 1/20 0.41
TLR9 Q9NR96 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
MAPT P10636 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
SCHEMBL3681703 0.90 HDAC1 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3687537 0.90 HDAC1 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3696557 0.84 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3696555 0.79 HDAC4 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3687253 0.78 HDAC1 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3686567 0.77 PRKD1 (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3686699 0.76 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3693788 0.73 HDAC1 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3687249 0.73 HDAC1 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3691571 0.72 HDAC1 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2

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