SCHEMBL5170203

SCHEMBL5170203

N#Cc1cccc(C[C@@]2(Nc3cnc(/C=C/C(=O)O)cn3)CCNC2)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
VNN1 O95497 10/20 0.37
HDAC4 P56524 1/20 0.35
MEF2D Q14814 1/20 0.35
ESR1 P03372 1/20 0.35
ALKBH1 Q13686 1/20 0.33
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
LMNA P02545 1/20 0.32
BTD P43251 1/20 0.32

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
SCHEMBL5197786 0.89 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3VNN1LMNA
SCHEMBL5197021 0.89 AKR1C3 (0.34) SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL5191421 0.89 HDAC3 (0.39) SLC6A2SLC6A4SLC6A3HDAC4LMNA
SCHEMBL5171686 0.88 SLC6A2 (0.35) SLC6A2SLC6A3
SCHEMBL5172265 0.86 AKR1C3 (0.39) SLC6A2SLC6A4SLC6A3HDAC4MEF2D
SCHEMBL5171643 0.86 HDAC4 (0.34) SLC6A2SLC6A4SLC6A3HDAC4MEF2D
SCHEMBL5172609 0.84 GCK (0.42) HDAC4MEF2DFFAR1FFAR4
SCHEMBL5168837 0.84 TYRO3 (0.36) ESR1
SCHEMBL5169133 0.83 ALDH1A1 (0.35)
SCHEMBL5197780 0.83 HDAC3 (0.38) SLC6A2SLC6A4SLC6A3HDAC4LMNA

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
EP-1776357-A1 HYDROXYAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF HISTONE DEACETYLASE (HDAC) Astellas Pharma Inc. (JP) 2007-04-25 EP disclosed
WO-2006016680-A1 HYDROXYAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF HISTONE DEACETYLASE (HDAC) ASTELLAS PHARMA INC. (JP) 2006-02-16 WO disclosed