SCHEMBL26012989

SCHEMBL26012989

CCCNCCc1cc(OC)c(SCCC(F)(F)F)cc1OC

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 13/20 0.67
▸ HTR2C P28335 9/20 0.67
▸ HTR2B P41595 9/20 0.67
▸ NSD2 O96028 2/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL26012931 0.91 HTR2A (0.69) HTR2AHTR2CHTR2BNSD2KMT2A
SCHEMBL26080655 0.87 HTR2A (0.78) HTR2AHTR2CHTR2B
SCHEMBL26012927 0.86 HTR2A (0.72) HTR2AHTR2CHTR2BNSD2KMT2A
SCHEMBL26013139 0.84 HTR2A (0.68) HTR2AHTR2CHTR2BNSD2KMT2A
SCHEMBL26012912 0.84 HTR2A (0.72) HTR2AHTR2CHTR2BNSD2KMT2A
SCHEMBL26013390 0.83 HTR2A (0.50) HTR2AHTR2CHTR2BNSD2KMT2A
SCHEMBL26013071 0.83 HTR2A (0.67) HTR2AHTR2CHTR2BNSD2KMT2A
SCHEMBL26013458 0.81 HTR2A (0.69) HTR2AHTR2CHTR2BNSD2KMT2A
SCHEMBL25361926 0.81 HTR2A (1.00) HTR2AHTR2CHTR2B
SCHEMBL26013302 0.80 HTR2A (0.64) HTR2AHTR2CHTR2BNSD2KMT2A

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
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