SCHEMBL8014073

SCHEMBL8014073

COc1ccccc1N1CCN(C[C@H](C)Nc2ccccn2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.62
DRD3 P35462 6/20 0.62
ADRA1A P35348 3/20 0.62
LPAR2 Q9HBW0 2/20 0.56
RECQL P46063 1/20 0.53
IGF1R P08069 1/20 0.52
HTR1A P08908 6/20 0.52
MAPT P10636 2/20 0.51
ALDH1A1 P00352 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
HTR2A P28223 4/20 0.50
HTR7 P34969 1/20 0.50
HTR6 P50406 1/20 0.50
DRD4 P21917 2/20 0.49
HTR2C P28335 1/20 0.49
NR1I2 O75469 1/20 0.48
LMNA P02545 1/20 0.48
NR3C1 P04150 1/20 0.48
ADRB1 P08588 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
SCHEMBL7465587 1.00 DRD2 (0.62) DRD2DRD3ADRA1ALPAR2RECQL
SCHEMBL7465581 1.00 DRD2 (0.62) DRD2DRD3ADRA1ALPAR2RECQL
SCHEMBL8995901 0.83 DRD2 (0.44) DRD2DRD3ADRA1ALPAR2
SCHEMBL8995898 0.83 DRD2 (0.44) DRD2DRD3ADRA1ALPAR2
SCHEMBL8013991 0.81 DRD2 (0.57) DRD2DRD3ADRA1ARECQLHTR1A
SCHEMBL74384 0.79 ADRA1A (0.85) DRD2DRD3ADRA1AHTR1AADRA1D
SCHEMBL8013988 0.78 DRD2 (0.63) DRD2DRD3ADRA1ARECQLHTR1A
SCHEMBL5423523 0.78 DRD2 (0.52) DRD2DRD3ADRA1ALPAR2HTR1A
SCHEMBL5423525 0.78 DRD2 (0.52) DRD2DRD3ADRA1ALPAR2HTR1A
SCHEMBL12304200 0.77 DRD2 (0.66) DRD2DRD3ADRA1ARECQLIGF1R

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
US-6127357-A N-((phenyl, benzodioxinyl or N-heteroarylpiperazinyl)alkyl)-N-(N-heteroaryl)substituted carboxamides JOHN WYETH & BROTHER, LTD. (GB) 2000-10-03 US disclosed
EP-0512755-B1 Piperazine derivatives WYETH JOHN & BROTHER LTD (GB) 1994-12-14 EP disclosed
EP-0512755-A2 Piperazine derivatives JOHN WYETH & BROTHER LIMITED (GB) 1992-11-11 EP disclosed