SCHEMBL26014131

SCHEMBL26014131

COc1cc(SC(F)(F)F)c(OC)cc1CCNC1CCCCC1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 9/20 0.66
HTR2C P28335 4/20 0.57
HTR2B P41595 4/20 0.57
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
KDM4E B2RXH2 3/20 0.50
GAA P10253 2/20 0.50
HTT P42858 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 5/20 0.43
LMNA P02545 1/20 0.41
ALOX12 P18054 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 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
SCHEMBL25362206 0.80 HTR2A (1.00) HTR2AHTR2CHTR2B
SCHEMBL25358431 0.74 HTR2A (1.00) HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL31722770 0.72 HTR2A (1.00) HTR2AHTR2CHTR2B
SCHEMBL4630873 0.71 ALDH1A1 (0.54) HTR2AHTR2CHTR2BMEN1KMT2A
SCHEMBL27766249 0.70 KMT2A (0.59) HTR2AHTR2CMEN1KMT2AKDM4E
SCHEMBL12204085 0.70 ALDH1A1 (0.76) MEN1KMT2AKDM4EGAAHTT
SCHEMBL1678220 0.66 KMT2A (0.67) MEN1KMT2AKDM4EGAAHTT
SCHEMBL25373035 0.66 HTR2A (1.00) HTR2AHTR2CHTR2B
SCHEMBL26080924 0.66 HTR2A (0.65) HTR2AHTR2CHTR2B
SCHEMBL20767132 0.66 ALDH1A1 (0.45) HTR2AHTR2CHTR2BMEN1KMT2A

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-2023156450-A1 THERAPEUTIC PHENETHYLAMINE COMPOSITIONS AND METHODS OF USE CYBIN IRL LIMITED (IE) 2023-08-24 WO disclosed