SCHEMBL8912854

SCHEMBL8912854

c1cnc(N2CCN(CCCNc3[nH]cc4ccccc34)CC2)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.48
DRD2 P14416 5/20 0.48
HTR2A P28223 4/20 0.48
DRD3 P35462 5/20 0.47
DRD4 P21917 3/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
PDE4B Q07343 1/20 0.45
PDE4D Q08499 1/20 0.45
HTR7 P34969 2/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2C P18825 1/20 0.44
SLC6A2 P23975 1/20 0.44
ADRA1A P35348 1/20 0.44
HRH1 P35367 1/20 0.44
HTR2B P41595 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
DRD1 P21728 1/20 0.43

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
SCHEMBL8485571 0.93 DRD2 (0.49) HTR1ADRD2HTR2ADRD3DRD4
SCHEMBL8690409 0.85 HTR7 (0.52) HTR1ADRD2HTR2ADRD3HTR7
Bromide SCHEMBL8486561 0.84 HTR7 (0.51) HTR1ADRD2HTR2ADRD3HTR7
SCHEMBL8716529 0.79 SLC6A4 (0.51) HTR1ADRD2HTR2ADRD3DRD4
SCHEMBL8488127 0.79 DRD3 (0.64) HTR1ADRD2HTR2ADRD3PDE4B
SCHEMBL8486784 0.78 HTR1A (0.61) HTR1ADRD2HTR2ADRD3LMNA
SCHEMBL8581543 0.76 DRD2 (0.69) HTR1ADRD2HTR2ADRD3DRD4
Bromide SCHEMBL8484082 0.75 DRD2 (0.68) HTR1ADRD2HTR2ADRD3DRD4
Bromide SCHEMBL7210662 0.74 HTR1A (0.64) HTR1ADRD2HTR2ADRD3DRD4
SCHEMBL7207251 0.73 KDM4E (0.51) HTR1ADRD2HTR2ADRD3DRD4

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-5656632-A 1-(N'-(arylalkylaminoalkyl)) aminoisoindoles; dopamine receptor subtype specific ligands NEUROGEN CORPORATION (US) 1997-08-12 US claimed