SCHEMBL4629845

SCHEMBL4629845

CCOC(=O)C(=O)C1CNCCN1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
PKM P14618 1/20 0.37
ALDH1A1 P00352 4/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PRCP P42785 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GLO1 Q04760 1/20 0.32
TSHR P16473 1/20 0.31
GAA P10253 1/20 0.30
LMNA P02545 1/20 0.30
HSD17B10 Q99714 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30

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
SCHEMBL7189528 0.84 MAPT (0.42) MAPTPKMALDH1A1GAAHSD17B10
SCHEMBL27550910 0.84 MAPT (0.42) MAPTPKMALDH1A1GAAHSD17B10
SCHEMBL1417951 0.84 MAPT (0.42) MAPTPKMALDH1A1GAAHSD17B10
Hydrochloric Acid SCHEMBL2920606 0.82 MAPT (0.44) MAPTPKMALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL4283062 0.82 MAPT (0.44) MAPTPKMALDH1A1HSD17B10
Acetic Acid SCHEMBL6729875 0.79 MAPT (0.43) MAPTPKMALDH1A1LMNAHSD17B10
SCHEMBL22122711 0.78 SOAT1 (0.45) MAPTPKMALDH1A1HSD17B10
SCHEMBL27677511 0.77 PRCP (0.46) MAPTPRCP
Hydrochloric Acid SCHEMBL27638770 0.77 SOAT1 (0.44) MAPTPKMALDH1A1HSD17B10
SCHEMBL1951212 0.76 PPM1B (0.37) MAPTPKMPRCP

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-1919907-A2 HETEROCYCLIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-05-14 EP disclosed
WO-2007026959-A2 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 WO disclosed