SCHEMBL8828459

SCHEMBL8828459

CCCNN1CCN(c2ccc(C)cc2OC)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HTR1A P08908 3/20 0.41
DRD3 P35462 3/20 0.40
HTR2A P28223 1/20 0.40
HTR7 P34969 1/20 0.40
ADRA1A P35348 1/20 0.40
LMNA P02545 4/20 0.39
HTT P42858 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
DRD4 P21917 3/20 0.39
PKM P14618 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ALDH1A3 P47895 1/20 0.39

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
SCHEMBL8828418 0.85 DRD2 (0.47) DRD2HTR1ADRD3SMN1; SMN2DRD4
SCHEMBL8828510 0.82 DRD2 (0.62) DRD2HTR1ADRD3ADRA1ALMNA
SCHEMBL16440177 0.79 DRD2 (0.50) DRD2NPC1RAB9AHTR1ADRD3
SCHEMBL8828450 0.78 DRD2 (0.43) DRD2HTR1ADRD3ADRA1ADRD4
SCHEMBL8828496 0.77 DRD2 (0.44) DRD2HTR1ADRD3HTR2ASMN1; SMN2
SCHEMBL8828555 0.77 HTR3E (0.57) DRD2HTR1AADRA1ALMNADRD4
SCHEMBL12082468 0.76 DRD2 (0.62) DRD2HTR1ADRD3HTR2AHTR7
SCHEMBL8342531 0.76 ALDH1A1 (0.61) DRD2HTR1ADRD3LMNAHTT
SCHEMBL12385910 0.75 ALDH1A1 (0.59) HTR1ALMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL28272519 0.74 DRD2 (0.64) DRD2HTR1ADRD3ADRA1ADRD4

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-5688795-A URINARY TRACTS OBSTRUCTION SYNTEX (U.S.A.) INC. (US) 1997-11-18 US disclosed