SCHEMBL3687253

SCHEMBL3687253

CN(C)CCNc1cccc(C(=O)C=Cc2cc(-c3ccccc3)ccc2CN2CCN(C)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.43
HDAC3 O15379 8/20 0.43
HDAC4 P56524 8/20 0.43
HDAC7 Q8WUI4 8/20 0.43
HDAC2 Q92769 8/20 0.43
HDAC10 Q969S8 8/20 0.43
HDAC11 Q96DB2 8/20 0.43
HDAC8 Q9BY41 8/20 0.43
HDAC6 Q9UBN7 8/20 0.43
HDAC9 Q9UKV0 8/20 0.43
HDAC5 Q9UQL6 8/20 0.43
SUCNR1 Q9BXA5 1/20 0.41
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 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
SCHEMBL3687249 0.84 HDAC1 (0.54) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL3693788 0.84 HDAC1 (0.54) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL3687695 0.80 HDAC3 (0.46) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL3696557 0.79 HDAC3 (0.47) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL3686567 0.79 PRKD1 (0.39) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL3681707 0.78 HDAC3 (0.50) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL3689186 0.74 HDAC3 (0.46) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL3683953 0.74 HDAC3 (0.46) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL3681703 0.73 HDAC1 (0.51) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL3687537 0.73 HDAC1 (0.51) HDAC1HDAC3HDAC4HDAC7HDAC2

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