SCHEMBL7036660

SCHEMBL7036660

CC(CCCC(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)c1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.53
HDAC4 P56524 2/20 0.45
MEF2D Q14814 1/20 0.45
SLC6A5 Q9Y345 1/20 0.44
HDAC1 Q13547 3/20 0.44
C3AR1 Q16581 1/20 0.43
CPB2 Q96IY4 1/20 0.41
SMYD3 Q9H7B4 1/20 0.41
FOLH1 Q04609 4/20 0.41
GRIA1 P42261 1/20 0.40
ITGB3 P05106 2/20 0.40
ITGA2B P08514 2/20 0.40
PYGL P06737 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL7036665 1.00 CTSK (0.53) CTSKHDAC4MEF2DSLC6A5HDAC1
SCHEMBL7036651 0.87 SLC6A5 (0.52) CTSKHDAC4MEF2DSLC6A5HDAC1
SCHEMBL4404268 0.86 CTSK (0.64) CTSKHDAC4MEF2DHDAC1FOLH1
SCHEMBL8772974 0.86 CTSK (0.64) CTSKHDAC4MEF2DHDAC1FOLH1
SCHEMBL825451 0.86 CTSK (0.64) CTSKHDAC4MEF2DHDAC1FOLH1
SCHEMBL22449378 0.75 MLYCD (0.49) CTSK
SCHEMBL20341491 0.75 KDM4E (0.51) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL20341502 0.75 KDM4E (0.51) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL8177757 0.73 SMN1; SMN2 (0.60) CTSKHDAC4HDAC1GRIA1HDAC3
SCHEMBL27883407 0.73 KMT2A (0.53) CTSKPSMB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0822827-B1 ANTAGONISTS OF LHRH UNIV TEXAS (US) 2003-03-05 EP disclosed
EP-0822827-A4 ANTAGONISTS OF LHRH UNIV TEXAS (US) 2001-07-11 EP disclosed
EP-0822827-A1 ANTAGONISTS OF LHRH BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1998-02-11 EP disclosed
WO-1996033729-A1 ANTAGONISTS OF LHRH BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1996-10-31 WO disclosed