SCHEMBL26056042

SCHEMBL26056042

COc1cc(CCN)cc(OC)c1SCCC(F)(F)F

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 15/20 0.64
▸ HTR2C P28335 10/20 0.59
▸ HTR2B P41595 9/20 0.59
▸ KDM4E B2RXH2 1/20 0.45
▸ ATM Q13315 1/20 0.45
▸ TAAR1 Q96RJ0 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ NFKB1 P19838 1/20 0.39

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
SCHEMBL27002138 0.92 HTR2A (0.61) HTR2AHTR2CHTR2BKDM4EATM
SCHEMBL27002059 0.90 HTR2A (0.59) HTR2AHTR2CHTR2BKDM4EATM
SCHEMBL26056916 0.83 HTR2A (0.61) HTR2AHTR2CHTR2BKDM4EATM
SCHEMBL26056043 0.82 HTR2A (0.59) HTR2AHTR2CHTR2BKDM4EATM
SCHEMBL20970884 0.81 HTR2A (0.58) HTR2AHTR2CHTR2BKDM4EATM
SCHEMBL27002187 0.81 HTR2A (0.58) HTR2AHTR2CHTR2BKDM4EATM
SCHEMBL26061242 0.79 HTR2A (0.59) HTR2AHTR2CHTR2BKDM4EATM
SCHEMBL27002101 0.79 HTR2A (0.57) HTR2AHTR2CHTR2BKDM4EATM
SCHEMBL20970965 0.79 HTR2A (0.55) HTR2AHTR2CHTR2BKDM4EATM
SCHEMBL25373111 0.78 HTR2A (1.00) 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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