SCHEMBL5014236

SCHEMBL5014236

Cc1cccc(C)c1N1CCN(CCC(=O)O)CC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
SLC6A4 P31645 2/20 0.51
SLC6A2 P23975 2/20 0.51
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HTR7 P34969 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HTT P42858 1/20 0.47
HTR1A P08908 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
TSHR P16473 1/20 0.45
SLC6A3 Q01959 1/20 0.44
LMNA P02545 1/20 0.44
GFER P55789 1/20 0.44

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
SCHEMBL2113444 0.84 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AHTR7TSHR
SCHEMBL2114057 0.83 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AHTR7HTR1A
SCHEMBL7416929 0.77 ALDH1A1 (0.53) ALDH1A1SLC6A4SLC6A2MEN1KMT2A
SCHEMBL2114983 0.77 HTR1A (0.73) ALDH1A1HTR7L3MBTL1HTR1AHTR2A
SCHEMBL5228101 0.76 MEN1 (0.55) ALDH1A1SLC6A4SLC6A2MEN1KMT2A
SCHEMBL5010657 0.76 MAPT (0.61) MEN1KMT2AHTR7HTR1A
SCHEMBL5010586 0.76 GAA (0.51) SLC6A4HTR7HTR1AHTR2AHTR2C
SCHEMBL5009458 0.76 ALDH1A1 (0.61) ALDH1A1SLC6A4MEN1KMT2AHTR7
Hydrochloric Acid SCHEMBL9811592 0.76 HTR1A (0.71) ALDH1A1HTR7L3MBTL1HTR1AHTR2A
SCHEMBL3436612 0.75 MEN1 (0.48) ALDH1A1MEN1KMT2AL3MBTL1HTT

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-2008093920-A2 1,2-DIHYDRO-1-OXOPHTHALAZINYL DERIVATIVES HAVING BIOLOGICAL ACTIVITY ON SEROTONIN RECEPTORS 5-HT2A AND 5-HT2C, AND PREPARATION THEREOF DONGBU HITEK CO., LTD. (KR) 2008-08-07 WO disclosed