SCHEMBL29052976

SCHEMBL29052976

COc1cc2c(cc1O)C(Cc1ccc(O)c(O)c1)N(C)CC2

nearest known ligand 0.89

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.89
▸ DRD1 P21728 1/20 0.89
▸ BCHE P06276 1/20 0.80
▸ ACHE P22303 1/20 0.80
▸ DRD4 P21917 1/20 0.80
▸ KCNH2 Q12809 2/20 0.79
▸ LMNA P02545 2/20 0.70
▸ KDM4E B2RXH2 2/20 0.70
▸ ALDH1A1 P00352 2/20 0.70
▸ HSD17B10 Q99714 2/20 0.70
▸ MAPK1 P28482 1/20 0.70
▸ CYP2D6 P10635 1/20 0.70
▸ ALOX15 P16050 1/20 0.69

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
SCHEMBL18179207 1.00 DRD2 (0.89) DRD2DRD1BCHEACHEDRD4
SCHEMBL29373104 0.95 DRD2 (0.89) DRD2DRD1BCHEACHEDRD4
(R)-Reticuline SCHEMBL9587509 0.94 DRD2 (1.00) DRD2DRD1BCHEACHEDRD4
(R)-Reticuline SCHEMBL29364903 0.94 DRD2 (1.00) DRD2DRD1BCHEACHEDRD4
(R)-Reticuline SCHEMBL29373552 0.94 DRD2 (1.00) DRD2DRD1BCHEACHEDRD4
(S)-Reticuline SCHEMBL147597 0.94 DRD2 (1.00) DRD2DRD1BCHEACHEDRD4
(S)-Reticuline SCHEMBL147596 0.94 DRD2 (1.00) DRD2DRD1BCHEACHEDRD4
(S)-Reticuline SCHEMBL29923953 0.94 DRD2 (1.00) DRD2DRD1BCHEACHEDRD4
Laudanidine SCHEMBL18187574 0.92 DRD2 (0.95) DRD2DRD1BCHEACHEDRD4
Codamine SCHEMBL15696578 0.92 DRD2 (0.91) DRD2DRD1BCHEACHEKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116656642-A Rhizoma corydalis-derived oxymethyl transferase Cy4' OMT and application thereof 中国中医科学院中药研究所 2023-08-29 — — CN disclosed
CN-116606829-A Rhizoma corydalis-derived oxymethyl transferase CyS2OMT and functions thereof 中国中医科学院中药研究所 2023-08-18 — — CN disclosed
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