SCHEMBL7536360

SCHEMBL7536360

CN1CCN(CCCN2c3ccccc3Oc3cc(N)ccc32)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.52
DRD2 P14416 8/20 0.46
HTR2A P28223 7/20 0.46
HTR1A P08908 6/20 0.46
CHRM1 P11229 6/20 0.46
DRD3 P35462 6/20 0.46
MAPK1 P28482 6/20 0.46
ADRA2A P08913 5/20 0.46
ADRA2C P18825 5/20 0.46
DRD1 P21728 5/20 0.46
SLC6A2 P23975 5/20 0.46
SLC6A4 P31645 5/20 0.46
ADRA1A P35348 5/20 0.46
HRH1 P35367 5/20 0.46
SLC6A3 Q01959 5/20 0.46
KCNH2 Q12809 5/20 0.46
MAPT P10636 5/20 0.46
CYP3A4 P08684 5/20 0.46
CHRM2 P08172 5/20 0.46
OPRM1 P35372 4/20 0.46

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
SCHEMBL7529841 0.93 KDM1A (0.52) KDM1ADRD2HTR2AHTR1ACHRM1
SCHEMBL13305145 0.88 KDM1A (0.64) KDM1ADRD2HTR2AHTR1ACHRM1
SCHEMBL13305239 0.86 KDM1A (0.60) KDM1ADRD2HTR2AHTR1ACHRM1
SCHEMBL7535997 0.81 KDM1A (0.52) KDM1ADRD2HTR2AHTR1ACHRM1
SCHEMBL7594811 0.78 KDM1A (0.78) KDM1ADRD2HTR2AHTR1ACHRM1
SCHEMBL13305459 0.78 FPR2 (0.66) KDM1ADRD2HTR2AHTR1ACHRM1
SCHEMBL282769 0.77 CHRM1 (0.53) DRD2HTR2AHTR1ACHRM1DRD3
SCHEMBL13305365 0.77 HTR1A (0.50) KDM1ADRD2HTR2AHTR1ACHRM1
SCHEMBL6102599 0.77 CACNA1B (0.51) KDM1ADRD2HTR2AHTR1ACHRM1
SCHEMBL6969785 0.76 CACNA1B (0.50) KDM1ADRD2HTR2AHTR1ACHRM1

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
WO-2002022130-A2 MEANS FOR REGULATING IMMUNE DEFENCES INSTITUT NECKER (FR) 2002-03-21 WO disclosed