SCHEMBL8918289

SCHEMBL8918289

Cn1c(=O)oc2cc(CN3CCN(c4ncccn4)CC3)cnc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
DRD2 P14416 4/20 0.45
DRD3 P35462 4/20 0.45
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
HTR1A P08908 2/20 0.45
GAA P10253 1/20 0.45
USP2 O75604 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
ADRA2A P08913 1/20 0.45
CYP2D6 P10635 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
NFKB1 P19838 1/20 0.45
SLC6A2 P23975 1/20 0.45
MAPK1 P28482 1/20 0.45
SLC6A4 P31645 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL8919081 0.86 PDE1B (0.41) ALDH1A1KDM4EHTR1AGAAHSD17B10
SCHEMBL8918497 0.85 DRD4 (0.53) MEN1KMT2ADRD2DRD3ALDH1A1
SCHEMBL8917938 0.84 PDE1B (0.43) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL8918424 0.76 HTR1A (0.51) DRD2DRD3HTR1ASLC6A2SLC6A4
SCHEMBL8920545 0.74 SIGMAR1 (0.52) DRD2DRD3HTR1AADRA1ADRD4
SCHEMBL8918611 0.74 SIGMAR1 (0.41) ALDH1A1HTR1AUSP2SLC6A2SLC6A4
SCHEMBL8918622 0.73 HRH3 (0.41) HTR1ACYP1A2CYP3A4CYP2D6SLC6A2
SCHEMBL8918838 0.73 DRD4 (0.51) KMT2ADRD2DRD3HTR1ADRD4
SCHEMBL8917996 0.72 SIGMAR1 (0.44) KMT2AALDH1A1HTR1AHSD17B10
SCHEMBL8624806 0.72 HSD17B10 (0.35) MEN1KMT2AALDH1A1KDM4EMAPK1

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-5618819-A ANALGESICS ADIR ET COMPAGNIE (FR) 1997-04-08 US disclosed