SCHEMBL7474417

SCHEMBL7474417

O=c1[nH]cc(Cl)cc1CCO

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DAO P14920 7/20 0.52
DYRK1A Q13627 1/20 0.47
HTR2C P28335 1/20 0.35
EPHX2 P34913 1/20 0.34
S100A9 P06702 2/20 0.33
CHEK1 O14757 1/20 0.33
NPC1 O15118 1/20 0.32
CYP2D6 P10635 1/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
ERCC1 P07992 1/20 0.32
ERCC4 Q92889 1/20 0.32
MASP2 O00187 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
SCHEMBL4705062 0.80 DYRK1A (0.51) DAODYRK1A
SCHEMBL21026293 0.78 DAO (0.52) DAODYRK1AEPHX2S100A9GRIN2D
SCHEMBL23479301 0.72 DAO (0.46) DAODYRK1AS100A9GRIN2DGRIN3B
SCHEMBL17185575 0.69 PRKAB2 (0.44) DYRK1AERCC1ERCC4
SCHEMBL7256428 0.69
SCHEMBL5270227 0.68
SCHEMBL27726497 0.66 DAO (0.59) DAO
SCHEMBL2767832 0.65 PDPK1 (0.45) DAOHTR2CCHEK1GRIN2DGRIN3B
SCHEMBL4150325 0.64
SCHEMBL8264421 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1045844-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2002-08-21 EP disclosed
EP-1045844-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2000-10-25 EP disclosed
WO-1999028314-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-06-10 WO disclosed