SCHEMBL27377337

SCHEMBL27377337

CCN(CC)Cc1c[nH]c2cc(OC)c(OC)cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 2/20 0.56
KDM4E B2RXH2 4/20 0.54
MAPT P10636 3/20 0.54
HPGD P15428 3/20 0.54
HSD17B10 Q99714 3/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
ALDH1A1 P00352 2/20 0.54
MTNR1A P48039 4/20 0.50
MTNR1B P49286 3/20 0.50
HTR1A P08908 4/20 0.48
POLB P06746 1/20 0.42
RAD52 P43351 1/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
APEX1 P27695 1/20 0.41

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
SCHEMBL27559060 0.82 MTNR1A (0.60) KDM4EHPGDHSD17B10MEN1KMT2A
SCHEMBL27396037 0.80 MPO (0.62) MPOKDM4EMAPTHPGDHSD17B10
SCHEMBL4633747 0.78 MPO (0.68) MPOKDM4EMAPTHPGDHSD17B10
SCHEMBL9666304 0.77 HTR2B (0.61) MPOKDM4EMAPTHPGDHSD17B10
SCHEMBL25747924 0.76 HTR1A (0.62) MPOKDM4EHPGDHSD17B10MTNR1A
SCHEMBL26602823 0.75 HTR1A (0.79) MPOKMT2AMTNR1AMTNR1BHTR1A
SCHEMBL31377418 0.75 HTR1A (0.79) MPOKMT2AMTNR1AMTNR1BHTR1A
SCHEMBL7850885 0.74 HTR2A (0.63) MPOMAPTMEN1KMT2AMTNR1A
SCHEMBL27494993 0.74 MTNR1A (0.43) KDM4EMAPTHPGDHSD17B10ALDH1A1
Hydrochloric Acid SCHEMBL7683721 0.73 NPSR1 (0.64) MPOMAPTMEN1KMT2AMTNR1A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1079395-C Production method of N-acetyl-5, 6-dimethoxytryptamine TAN DUNXIAN (CN) 2002-02-20 CN claimed
CN-1189172-C N-acetyl-5,6-dimethoxytryptamine for preparing medicine resisting oxidation free radical TAN DUNXIAN (CN) 2005-02-16 CN disclosed
CN-1411808-A N-acetyl-5,6-dimethoxytryptamine for preparing medicine resisting oxidation free radical TAN DUNXIAN (CN) 2003-04-23 CN disclosed
CN-1079395-C Production method of N-acetyl-5, 6-dimethoxytryptamine TAN DUNXIAN (CN) 2002-02-20 CN disclosed