SCHEMBL3690165

SCHEMBL3690165

CCCCN(CCCC)c1cccc(C(=O)/C=C/c2ccc(N3CCN(C)CC3)cc2N2CCN(C)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 13/20 0.48
HDAC8 Q9BY41 13/20 0.48
HDAC4 P56524 11/20 0.48
HDAC1 Q13547 11/20 0.48
HDAC7 Q8WUI4 11/20 0.48
HDAC2 Q92769 11/20 0.48
HDAC10 Q969S8 11/20 0.48
HDAC11 Q96DB2 11/20 0.48
HDAC6 Q9UBN7 11/20 0.48
HDAC9 Q9UKV0 11/20 0.48
HDAC5 Q9UQL6 11/20 0.48
HTR2C P28335 3/20 0.40
HTR7 P34969 1/20 0.39
ESR1 P03372 1/20 0.36
PTPN1 P18031 1/20 0.36

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
SCHEMBL3693621 1.00 HDAC3 (0.48) HDAC3HDAC8HDAC4HDAC1HDAC7
SCHEMBL3690470 0.90 HDAC3 (0.42) HDAC3HDAC8HDAC4HDAC1HDAC7
SCHEMBL3688438 0.90 HDAC3 (0.42) HDAC3HDAC8HDAC4HDAC1HDAC7
SCHEMBL3696571 0.86 HDAC3 (0.43) HDAC3HDAC8HDAC4HDAC1HDAC7
SCHEMBL3695350 0.86 HDAC3 (0.43) HDAC3HDAC8HDAC4HDAC1HDAC7
SCHEMBL3686063 0.83 HDAC3 (0.41) HDAC3HDAC8HDAC4HDAC1HDAC7
SCHEMBL3686634 0.83 HDAC3 (0.41) HDAC3HDAC8HDAC4HDAC1HDAC7
SCHEMBL3690166 0.82 HDAC3 (0.52) HDAC3HDAC8HDAC4HDAC1HDAC7
SCHEMBL3688795 0.80 HDAC3 (0.53) HDAC3HDAC8HDAC4HDAC1HDAC7
SCHEMBL3694114 0.80 HDAC3 (0.53) HDAC3HDAC8HDAC4HDAC1HDAC7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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