SCHEMBL7317422

SCHEMBL7317422

O=C(O)COc1ccccc1N1CCNCC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.65
SLC6A2 P23975 5/20 0.65
SLC6A4 P31645 5/20 0.65
SLC6A3 Q01959 4/20 0.65
HTR3A P46098 3/20 0.56
HTR6 P50406 2/20 0.56
HTR3E A5X5Y0 1/20 0.56
HTR3B O95264 1/20 0.56
ADRB1 P08588 1/20 0.56
DRD2 P14416 1/20 0.56
CYP2C19 P33261 1/20 0.56
DRD3 P35462 1/20 0.56
HTR3D Q70Z44 1/20 0.56
HTR3C Q8WXA8 1/20 0.56
SIGMAR1 Q99720 1/20 0.56
LMNA P02545 1/20 0.55
MAPT P10636 1/20 0.55
PRMT5 O14744 3/20 0.51
WDR77 Q9BQA1 2/20 0.51
TSHR P16473 1/20 0.48

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
SCHEMBL8133261 0.82 HTR1A (0.54) HTR1ASLC6A2SLC6A4SLC6A3HTR3A
SCHEMBL1307818 0.82 DRD2 (0.58) HTR1ADRD2DRD3PRMT5WDR77
SCHEMBL14560018 0.81 HTR1A (0.53) HTR1ASLC6A2SLC6A4SLC6A3HTR3A
SCHEMBL14570847 0.81 HTR1A (0.59) HTR1ASLC6A2SLC6A4SLC6A3HTR3A
SCHEMBL4274174 0.81 HTR3E (0.60) HTR3AHTR6HTR3EHTR3BHTR3D
SCHEMBL7322168 0.80 HTR1A (0.62) HTR1ASLC6A2SLC6A4SLC6A3HTR3A
SCHEMBL8139551 0.79 PRMT5 (0.52) HTR1ASLC6A2SLC6A4SLC6A3HTR3A
SCHEMBL14570779 0.79 HTR1A (0.57) HTR1ASLC6A2SLC6A4SLC6A3HTR3A
SCHEMBL4673484 0.79 HTR1A (1.00) HTR1ASLC6A2SLC6A4SLC6A3HTR3A
Bicarbonate SCHEMBL11620055 0.79 DRD2 (0.84) HTR1ASLC6A2SLC6A4SLC6A3HTR3A

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
US-5843948-A Piperazinophenyl- and piperazinophenyloxycarboxylic acid derivatives, and processes and intermediates for their preparation and pharmaceutical compositions comprising them SOLVAY PHARMACEUTICALS GMBH (DE) 1998-12-01 US disclosed