SCHEMBL4713820

SCHEMBL4713820

CC(C)(C)OC(=O)NCCc1ncc[nH]1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 1/20 0.46
GFER P55789 1/20 0.46
TERT O14746 1/20 0.45
HTT P42858 1/20 0.44
BCHE P06276 1/20 0.43
STK17B O94768 1/20 0.43
STK17A Q9UEE5 1/20 0.43
TBXAS1 P24557 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
IDO1 P14902 2/20 0.42
NQO2 P16083 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NAMPT P43490 1/20 0.41

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
SCHEMBL4734573 0.92 STK17B (0.47) NPSR1HTTSTK17BSTK17ATBXAS1
SCHEMBL12647368 0.91 TBXAS1 (0.49) NPSR1STK17BSTK17ATBXAS1TDP1
SCHEMBL6585454 0.89 TDP1 (0.51) NPSR1STK17BSTK17ATBXAS1TDP1
SCHEMBL3794186 0.85 L3MBTL1 (0.48) NPSR1GFERBCHESTK17BSTK17A
SCHEMBL16133628 0.81 TERT (0.49) ALDH1A1TERTTBXAS1NAMPT
SCHEMBL4242018 0.81 FDPS (0.41) NPSR1BCHESTK17BSTK17ATBXAS1
SCHEMBL31528777 0.80 TBXAS1 (0.41) ALDH1A1TERTHTTTBXAS1IDO1
SCHEMBL3845409 0.80 MEN1 (0.42) NPSR1ALDH1A1GFERBCHESTK17B
SCHEMBL13617947 0.79 TDP1 (0.41) NPSR1ALDH1A1BCHESTK17BSTK17A
SCHEMBL9081976 0.79 TERT (0.53) TERTHTTTBXAS1NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022093856-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2022-05-05 WO disclosed
EP-1465889-A4 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY ANORMED INC (CA) 2008-05-14 EP disclosed
EP-1628533-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY ANORMED INC. (CA) 2006-03-01 EP disclosed
WO-2004106493-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY ANORMED INC. (CA) 2004-12-09 WO disclosed
EP-1465889-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY AnorMED Inc. (CA) 2004-10-13 EP disclosed
WO-2003055876-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY ANORMED INC. (CA) 2003-07-10 WO disclosed