SCHEMBL3673027

SCHEMBL3673027

O=C(c1ccccc1CO)C1CNCCN1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DPP7 Q9UHL4 3/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA4 P22748 2/20 0.35
CA9 Q16790 2/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A3 Q01959 1/20 0.35
CHRNB2 P17787 2/20 0.34
CHRNB4 P30926 2/20 0.34
CHRNA3 P32297 2/20 0.34
CHRNA4 P43681 2/20 0.34
CNR2 P34972 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
SLC6A4 P31645 1/20 0.33

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
SCHEMBL3801432 0.79 SIGMAR1 (0.46) CA1CA2CA4CA9CHRNB2
SCHEMBL5313826 0.75 HPGD (0.41) HPGDCA1CA2CA4CA9
SCHEMBL3663206 0.72 DPP4 (0.43) DPP4LMNAGAAL3MBTL1DPP7
SCHEMBL7300300 0.70 FKBP1A (0.48)
SCHEMBL9263281 0.70 FKBP1A (0.48)
SCHEMBL5148256 0.70 NOTUM (0.42) LMNAHPGDCNR2
SCHEMBL11590269 0.70 SIGMAR1 (0.53) CA1CA2CA4CA9CHRNB2
SCHEMBL3666620 0.69 SMN1; SMN2 (0.42) HPGDSLC6A2SLC6A3CHRNB2CHRNB4
SCHEMBL3671778 0.69 NPSR1 (0.43) SLC6A2SLC6A3SIGMAR1SLC6A4
SCHEMBL8498078 0.69 SIGMAR1 (0.44) CA1CA2CA4CA9CHRNB2

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-2150532-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE Evotec AG (DE) 2010-02-10 EP disclosed
WO-2008122787-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2008-10-16 WO disclosed