SCHEMBL3696557

SCHEMBL3696557

CN(C)CCNc1cccc(C(=O)C=Cc2cc(N3CCN(C)CC3)ccc2-c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 8/20 0.47
HDAC4 P56524 8/20 0.47
HDAC1 Q13547 8/20 0.47
HDAC7 Q8WUI4 8/20 0.47
HDAC2 Q92769 8/20 0.47
HDAC10 Q969S8 8/20 0.47
HDAC11 Q96DB2 8/20 0.47
HDAC8 Q9BY41 8/20 0.47
HDAC6 Q9UBN7 8/20 0.47
HDAC9 Q9UKV0 8/20 0.47
HDAC5 Q9UQL6 8/20 0.47
PRKD1 Q15139 1/20 0.43
TLR9 Q9NR96 1/20 0.42
HTR7 P34969 2/20 0.41
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
FLT3 P36888 1/20 0.38
PTPN1 P18031 1/20 0.38
F10 P00742 1/20 0.37
HTR2C P28335 1/20 0.37

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
SCHEMBL3684483 0.84 HDAC3 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3681707 0.84 HDAC3 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3696555 0.83 HDAC4 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3687253 0.79 HDAC1 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3687537 0.79 HDAC1 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3681703 0.79 HDAC1 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3686567 0.78 PRKD1 (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3686624 0.77 PTPN1 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3685240 0.77 CTSL (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3691771 0.73 DRD2 (0.41) HTR7

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