Secologanin

Secologanin

SCHEMBL22658018

C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC=O.COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12

nearest known ligand 0.68

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 4/20 0.68
▸ MEN1 O00255 4/20 0.63
▸ KMT2A Q03164 4/20 0.63
▸ CYP2D6 P10635 3/20 0.63
▸ CASP1 P29466 1/20 0.63
▸ HTT P42858 1/20 0.63
▸ CASP7 P55210 1/20 0.63
▸ HSD17B10 Q99714 1/20 0.63
▸ TDP1 Q9NUW8 1/20 0.63
▸ ADRA2A P08913 1/20 0.63
▸ ADRA2B P18089 1/20 0.63
▸ ADRA2C P18825 1/20 0.63
▸ KDM4E B2RXH2 2/20 0.52
▸ MAPT P10636 2/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ ACHE P22303 1/20 0.51
▸ USP2 O75604 1/20 0.47
▸ STAT3 P40763 7/20 0.42

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
SCHEMBL31056992 0.82 HTR1A (1.00) HTR1AMEN1KMT2ACYP2D6CASP1
Akuammigine SCHEMBL17088325 0.79 CYP2D6 (1.00) HTR1AMEN1KMT2ACYP2D6CASP1
Akuammigine SCHEMBL15384550 0.79 CYP2D6 (1.00) HTR1AMEN1KMT2ACYP2D6CASP1
Akuammigine SCHEMBL15384548 0.79 CYP2D6 (1.00) HTR1AMEN1KMT2ACYP2D6CASP1
Akuammigine SCHEMBL15384556 0.79 CYP2D6 (1.00) HTR1AMEN1KMT2ACYP2D6CASP1
Tetrahydroalstonine SCHEMBL564502 0.79 CYP2D6 (1.00) HTR1AMEN1KMT2ACYP2D6CASP1
Akuammigine SCHEMBL17088324 0.79 CYP2D6 (1.00) HTR1AMEN1KMT2ACYP2D6CASP1
Akuammigine SCHEMBL15384543 0.79 CYP2D6 (1.00) HTR1AMEN1KMT2ACYP2D6CASP1
Akuammigine SCHEMBL15384547 0.79 CYP2D6 (1.00) HTR1AMEN1KMT2ACYP2D6CASP1
Akuammigine SCHEMBL309915 0.79 CYP2D6 (1.00) HTR1AMEN1KMT2ACYP2D6CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220228180-A1 Methods for production of strictosidine aglycone and monoterpenoid indole alkaloids DANMARKS TEKNISKE UNIVERSITET (DK) 2022-07-21 — — US disclosed
EP-3969603-A1 METHODS FOR PRODUCTION OF STRICTOSIDINE AGLYCONE AND MONOTERPENOID INDOLE ALKALOIDS Danmarks Tekniske Universitet (DK) 2022-03-23 — — EP disclosed
WO-2020229516-A1 METHODS FOR PRODUCTION OF STRICTOSIDINE AGLYCONE AND MONOTERPENOID INDOLE ALKALOIDS DANMARKS TEKNISKE UNIVERSITET (DK) 2020-11-19 — — WO disclosed
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