SCHEMBL22919319

SCHEMBL22919319

C=C[C@H]1[C@H](C[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1C[C@@H]1NCCc2c1[nH]c1ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 2/20 0.47
▸ ACHE P22303 1/20 0.46
▸ CYP2D6 P10635 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ ADRA2A P08913 1/20 0.38
▸ ADRA2B P18089 1/20 0.38
▸ ADRA2C P18825 1/20 0.38
▸ CHRM4 P08173 2/20 0.37
▸ HTR7 P34969 2/20 0.37
▸ DRD2 P14416 1/20 0.37
▸ GRIN2B Q13224 1/20 0.36
▸ PRMT5 O14744 2/20 0.36
▸ EGFR P00533 2/20 0.36
▸ MAPKAPK2 P49137 1/20 0.35

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
Strictosidine SCHEMBL29456822 0.90 HTR1A (0.56) HTR1AACHEMEN1KMT2A
Strictosidine SCHEMBL8322946 0.90 HTR1A (0.56) HTR1AACHEMEN1KMT2A
Strictosidine SCHEMBL29456742 0.90 HTR1A (0.56) HTR1AACHEMEN1KMT2A
SCHEMBL19353678 0.86 CYP2D6 (0.44) CYP2D6MEN1KMT2ACASP1HTT
SCHEMBL23675917 0.86 CYP2D6 (0.44) CYP2D6MEN1KMT2ACASP1HTT
Strictosidinic Acid SCHEMBL4729136 0.81 HTR1A (0.48) HTR1AACHEGRIN2BPRMT5EGFR
SCHEMBL19353679 0.77 CHRM4 (0.45) HTR1ACYP2D6MEN1KMT2ACASP1
SCHEMBL23675939 0.73 GRIN2B (0.44) CYP2D6MEN1KMT2ACASP1HTT
SCHEMBL2978568 0.70 HTR1A (0.72) HTR1A
SCHEMBL3205755 0.69 DRD2 (0.48) MEN1KMT2ADRD2

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
US-20210024944-A1 METHOD OF PRODUCING ALKALOID AJINOMOTO CO., INC. (JP) 2021-01-28 — — US disclosed
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