SCHEMBL7535997

SCHEMBL7535997

CN1CCN(CCCN2c3ccccc3Oc3ccc(F)cc32)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.52
DRD2 P14416 9/20 0.47
HTR2A P28223 7/20 0.47
CHRM1 P11229 6/20 0.47
KCNH2 Q12809 6/20 0.47
HTR1A P08908 5/20 0.47
ADRA2A P08913 4/20 0.47
ADRA2C P18825 4/20 0.47
DRD1 P21728 4/20 0.47
SLC6A2 P23975 4/20 0.47
SLC6A4 P31645 4/20 0.47
ADRA1A P35348 4/20 0.47
HRH1 P35367 4/20 0.47
DRD3 P35462 4/20 0.47
SLC6A3 Q01959 4/20 0.47
LMNA P02545 3/20 0.47
TP53 P04637 3/20 0.47
CYP3A4 P08684 3/20 0.47
ADORA3 P0DMS8 3/20 0.47
MAPT P10636 3/20 0.47

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
SCHEMBL13393404 0.93 KDM1A (0.50) KDM1ADRD2HTR2ACHRM1KCNH2
SCHEMBL13305145 0.88 KDM1A (0.64) KDM1ADRD2HTR2ACHRM1KCNH2
SCHEMBL13305239 0.86 KDM1A (0.60) KDM1ADRD2HTR2ACHRM1KCNH2
SCHEMBL7529841 0.85 KDM1A (0.52) KDM1ADRD2HTR2ACHRM1KCNH2
SCHEMBL13305459 0.85 FPR2 (0.66) KDM1ADRD2HTR2ACHRM1KCNH2
SCHEMBL13393383 0.84 KDM1A (0.51) KDM1ADRD2HTR1AADRA1ASMN1; SMN2
SCHEMBL13305365 0.82 HTR1A (0.50) KDM1ADRD2HTR2ACHRM1KCNH2
SCHEMBL7536360 0.81 KDM1A (0.52) KDM1ADRD2HTR2ACHRM1KCNH2
SCHEMBL5807070 0.79 DRD2 (0.53) DRD2HTR2AKCNH2HTR1ASLC6A4
SCHEMBL7533558 0.78 KDM1A (0.78) KDM1ADRD2HTR2ACHRM1KCNH2

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