SCHEMBL19353678

SCHEMBL19353678

C=CC1C(CC2NCCc3c2[nH]c2ccccc32)C(C(=O)OC)=CO[C@H]1O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ CASP1 P29466 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ CASP7 P55210 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ ADRA2A P08913 1/20 0.44
▸ ADRA2B P18089 1/20 0.44
▸ ADRA2C P18825 1/20 0.44
▸ HTR7 P34969 5/20 0.43
▸ CHRM4 P08173 4/20 0.43
▸ GRIN2B Q13224 1/20 0.43
▸ DRD2 P14416 1/20 0.43
▸ MAPKAPK2 P49137 1/20 0.41
▸ PRMT5 O14744 3/20 0.41
▸ EGFR P00533 3/20 0.41
▸ MAOA P21397 1/20 0.40

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
SCHEMBL23675917 1.00 CYP2D6 (0.44) CYP2D6MEN1KMT2ACASP1HTT
SCHEMBL22919319 0.86 HTR1A (0.47) CYP2D6MEN1KMT2ACASP1HTT
Strictosidine SCHEMBL29456742 0.84 HTR1A (0.56) MEN1KMT2A
Strictosidine SCHEMBL29456822 0.84 HTR1A (0.56) MEN1KMT2A
Strictosidine SCHEMBL8322946 0.84 HTR1A (0.56) MEN1KMT2A
SCHEMBL19353679 0.84 CHRM4 (0.45) CYP2D6MEN1KMT2ACASP1HTT
SCHEMBL23675939 0.80 GRIN2B (0.44) CYP2D6MEN1KMT2ACASP1HTT
Strictosidinic Acid SCHEMBL4729136 0.75 HTR1A (0.48) GRIN2BMAPKAPK2PRMT5EGFR
SCHEMBL17520610 0.69 GRIN2B (0.54) CYP2D6KMT2AHTR7CHRM4GRIN2B
SCHEMBL18651699 0.68 TLR4 (0.42) MEN1KMT2A

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-2017152273-A1 COMPOSITIONS AND METHODS FOR MAKING TERPENOID INDOLE ALKALOIDS VINDOLON INC. (CA) 2017-09-14 — — WO disclosed
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