SCHEMBL20339488

SCHEMBL20339488

Cc1cccc(N2CCN(C(=O)O)CC2)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.63
HTR3B O95264 1/20 0.63
HTR3A P46098 1/20 0.63
HTR3D Q70Z44 1/20 0.63
HTR3C Q8WXA8 1/20 0.63
PARP1 P09874 1/20 0.52
KCNH2 Q12809 2/20 0.51
HTR1A P08908 2/20 0.51
HTR2A P28223 2/20 0.51
DRD3 P35462 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
TRPA1 O75762 1/20 0.47
HCRTR1 O43613 1/20 0.47
HCRTR2 O43614 1/20 0.47
TGM2 P21980 4/20 0.46
F13A1 P00488 1/20 0.46
TGM1 P22735 1/20 0.46
TGM3 Q08188 1/20 0.46
RECQL P46063 1/20 0.46

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
SCHEMBL20141642 0.94 HTR3E (0.56) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL5462615 0.83 HTR3E (0.77) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL29668733 0.81 GAA (0.65) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL27913890 0.81 GRIN2D (0.48) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL440473 0.81 GRIN2D (0.48) DRD3TGM2RECQLKDM4EGAA
SCHEMBL4524210 0.80 CKS1B (0.57) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL240113 0.78 KDM4E (0.57) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL25283737 0.78 GAA (0.41) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL25241150 0.78 GAA (0.41) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL23839529 0.78 HTR1A (0.52) HTR3EHTR3BHTR3AHTR3DHTR3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1798735-A 1-aryl-4- (aryloxycarbonyl) -piperazine derivatives as inhibitors of hormone sensitive lipase NOVO NORDISK AS (DK) 2006-07-05 CN claimed
EP-3562822-A1 POLY-ADP RIBOSE POLYMERASE (PARP) INHIBITORS Mitobridge, Inc. (US) 2019-11-06 EP disclosed
WO-2018125961-A1 POLY-ADP RIBOSE POLYMERASE (PARP) INHIBITORS MITOBRIDGE, INC. (US) 2018-07-05 WO disclosed
CN-1798735-A 1-aryl-4- (aryloxycarbonyl) -piperazine derivatives as inhibitors of hormone sensitive lipase NOVO NORDISK AS (DK) 2006-07-05 CN disclosed