SCHEMBL3686567

SCHEMBL3686567

Cc1cc(C)cc(-c2ccc(N3CCN(C)CC3)c(C=CC(=O)c3cccc(NCCN(C)C)c3)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 1/20 0.39
HDAC3 O15379 9/20 0.39
HDAC4 P56524 9/20 0.39
HDAC1 Q13547 9/20 0.39
HDAC7 Q8WUI4 9/20 0.39
HDAC2 Q92769 9/20 0.39
HDAC10 Q969S8 9/20 0.39
HDAC11 Q96DB2 9/20 0.39
HDAC8 Q9BY41 9/20 0.39
HDAC6 Q9UBN7 9/20 0.39
HDAC9 Q9UKV0 9/20 0.39
HDAC5 Q9UQL6 9/20 0.39
HCRTR2 O43614 1/20 0.37
SYK P43405 1/20 0.35
TLR9 Q9NR96 1/20 0.35
WDR5 P61964 3/20 0.34
MEN1 O00255 2/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34

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
SCHEMBL3691488 0.91 HCRTR2 (0.36) PRKD1HDAC4HCRTR2SYKMEN1
SCHEMBL3686566 0.84 HDAC1 (0.47) PRKD1HDAC3HDAC4HDAC1HDAC7
SCHEMBL3691571 0.84 HDAC1 (0.47) PRKD1HDAC3HDAC4HDAC1HDAC7
SCHEMBL3689622 0.81 HCRTR2 (0.38) HCRTR2SYKMEN1LMNAMAPT
SCHEMBL4852888 0.80 HCRTR2 (0.42) HCRTR2SYKMEN1LMNAMAPT
SCHEMBL3687253 0.79 HDAC1 (0.43) PRKD1HDAC3HDAC4HDAC1HDAC7
SCHEMBL3691771 0.79 DRD2 (0.41) ATMHTR7
SCHEMBL3696557 0.78 HDAC3 (0.47) PRKD1HDAC3HDAC4HDAC1HDAC7
SCHEMBL3681707 0.77 HDAC3 (0.50) PRKD1HDAC3HDAC4HDAC1HDAC7
SCHEMBL3693761 0.76 HDAC4 (0.40) 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