SCHEMBL26058141

SCHEMBL26058141

COc1cc(CCN)cc(OC)c1OCCCF

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 7/20 0.68
▸ HTR2C P28335 3/20 0.68
▸ HTR2B P41595 3/20 0.68
▸ KDM4E B2RXH2 1/20 0.50
▸ ATM Q13315 1/20 0.50
▸ TAAR1 Q96RJ0 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ CYP19A1 P11511 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ GLA P06280 1/20 0.46
▸ CYP1A2 P05177 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ AOC3 Q16853 1/20 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
SCHEMBL20970875 0.87 HTR2A (0.73) HTR2AHTR2CHTR2BKDM4EATM
SCHEMBL20970967 0.85 HTR2A (0.75) HTR2AHTR2CHTR2BKDM4EATM
SCHEMBL26055930 0.83 HTR2A (0.62) HTR2AHTR2CHTR2BKDM4EATM
Hydrochloric Acid SCHEMBL29896439 0.81 HTR2A (0.60) HTR2AHTR2CHTR2BKDM4EATM
SCHEMBL1119068 0.81 HTR2A (1.00) HTR2AHTR2CHTR2BKDM4EATM
Mescaline SCHEMBL25170531 0.80 HTR2A (1.00) HTR2AHTR2CHTR2BKDM4EATM
Mescaline SCHEMBL34190 0.80 HTR2A (1.00) HTR2AHTR2CHTR2BKDM4EATM
SCHEMBL20970890 0.80 HTR2A (0.62) HTR2AHTR2CHTR2BKDM4EATM
SCHEMBL13049665 0.79 ACHE (0.54) HTR2AHTR2CHTR2BKDM4EMAPK1
Mescaline SCHEMBL3219304 0.78 HTR2A (0.96) HTR2AHTR2CHTR2BKDM4EATM

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-2023156453-A1 PHENETHYLAMINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE CYBIN IRL LIMITED (IE) 2023-08-24 — — WO disclosed
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