SCHEMBL28678155

SCHEMBL28678155

COc1cccc2[nH]cc(C(C)OC=O)c12

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.45
HTR2B P41595 2/20 0.43
HTR6 P50406 2/20 0.43
HTR2C P28335 1/20 0.43
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
HTR1A P08908 1/20 0.39
HTR7 P34969 1/20 0.39
HTR5A P47898 1/20 0.39
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
MMP9 P14780 1/20 0.38
KIF20A O95235 1/20 0.37
CLK1 P49759 1/20 0.37
DYRK1A Q13627 1/20 0.37
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL27908791 0.88 HTR2A (0.35) HTR2AHTR2BHTR6HTR2CMTNR1A
SCHEMBL27369292 0.83 GPR84 (0.44) HTR2AHTR2BHTR2CMAPTMEN1
SCHEMBL27891882 0.82 HTR2A (0.37) HTR2AMAPTMEN1KMT2ATDP1
SCHEMBL27524231 0.82 NR4A2 (0.46) HTR2AHTR2BHTR2C
SCHEMBL27906752 0.82 FFAR1 (0.43) HTR2AHTR2BHTR6HTR2CHTR1A
SCHEMBL27965809 0.82 CYP2A6 (0.35) HTR2AHTR2BHTR2CCLK1
SCHEMBL27771264 0.82 HTR2A (0.44) HTR2AHTR2BHTR6HTR2CHTR1A
SCHEMBL27472077 0.81 HTR2A (0.51) HTR2AHTR1AMAPTMEN1KMT2A
SCHEMBL27580249 0.81 MEN1 (0.36) HTR2AHTR6MTNR1AMTNR1BMAPT
SCHEMBL25990382 0.81 HTR2A (0.53) HTR2AHTR2BHTR6HTR2CMTNR1A

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
CN-109748840-B Synthetic method of 2-substituted indole derivative 中国医学科学院药物研究所 2021-12-07 CN disclosed