SCHEMBL5229819

SCHEMBL5229819

CC(C)(C)OC(=O)N1CCCC(COCCCCOCc2ccccc2)C1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.50
BCHE P06276 4/20 0.50
ACKR3 P25106 1/20 0.50
USP30 Q70CQ3 2/20 0.48
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
KAT7 O95251 1/20 0.46
KAT8 Q9H7Z6 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM1A O60341 1/20 0.46
FEN1 P39748 2/20 0.44
ALOX5AP P20292 1/20 0.44
GPR119 Q8TDV5 1/20 0.44
SCN9A Q15858 1/20 0.44
STS P08842 1/20 0.44
PRMT5 O14744 1/20 0.44

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
SCHEMBL25383877 0.96 HTR6 (0.50) HTR6BCHEACKR3USP30JAK2
SCHEMBL22623274 0.94 ACKR3 (0.53) HTR6BCHEACKR3USP30JAK2
SCHEMBL22617003 0.94 ACKR3 (0.53) HTR6BCHEACKR3USP30JAK2
SCHEMBL29605986 0.94 ACKR3 (0.53) HTR6BCHEACKR3USP30JAK2
SCHEMBL3358109 0.91 HTR6 (0.51) HTR6BCHEACKR3USP30JAK2
SCHEMBL3361572 0.91 HTR6 (0.51) HTR6BCHEACKR3USP30JAK2
SCHEMBL3356609 0.91 HTR6 (0.51) HTR6BCHEACKR3USP30JAK2
SCHEMBL22616960 0.89 ACKR3 (0.52) HTR6BCHEACKR3USP30JAK2
SCHEMBL34468715 0.86 JAK2 (0.50) HTR6BCHEACKR3USP30JAK2
SCHEMBL5237806 0.85 SMN1; SMN2 (0.51) JAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1764367-A1 THIENOPYRIDINE DERIVATIVES Sankyo Company, Limited (JP) 2007-03-21 EP disclosed