SCHEMBL3695351

SCHEMBL3695351

CCCCN(CCCC)c1cccc(C=CC(=O)c2c(N3CCN(C)CC3)cccc2N2CCN(C)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 10/20 0.49
HDAC4 P56524 10/20 0.49
HDAC1 Q13547 10/20 0.49
HDAC7 Q8WUI4 10/20 0.49
HDAC2 Q92769 10/20 0.49
HDAC10 Q969S8 10/20 0.49
HDAC11 Q96DB2 10/20 0.49
HDAC8 Q9BY41 10/20 0.49
HDAC6 Q9UBN7 10/20 0.49
HDAC9 Q9UKV0 10/20 0.49
HDAC5 Q9UQL6 10/20 0.49
ABCB1 P08183 4/20 0.43
GAA P10253 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.40
PIM2 Q9P1W9 1/20 0.39
HTR7 P34969 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL3686065 0.94 HDAC3 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3688440 0.91 HDAC3 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3690166 0.86 HDAC3 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3695350 0.82 HDAC3 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3696571 0.82 HDAC3 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3690470 0.80 HDAC3 (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3688438 0.80 HDAC3 (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3686063 0.79 HDAC3 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3686634 0.79 HDAC3 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3690165 0.76 HDAC3 (0.48) 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