SCHEMBL25280509

SCHEMBL25280509

COc1cc(CCCC(N)=O)c(OC)cc1Br

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 16/20 0.61
▸ HTR2C P28335 4/20 0.61
▸ TAAR1 Q96RJ0 3/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ LMNA P02545 1/20 0.44

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
SCHEMBL25280473 0.84 HTR2A (0.63) HTR2AHTR2CTAAR1
SCHEMBL30496580 0.84 HTR2A (0.58) HTR2AHTR2CTAAR1SMN1; SMN2
SCHEMBL8335125 0.80 HTR2A (0.80) HTR2AHTR2CTAAR1
SCHEMBL25236494 0.80 HTR2A (0.59) HTR2AHTR2CTAAR1
SCHEMBL23326313 0.78 HTR2A (0.66) HTR2AHTR2CTAAR1
SCHEMBL29775337 0.78 HTR2A (0.66) HTR2AHTR2CTAAR1
Acetic Acid SCHEMBL31176574 0.78 HTR2A (0.81) HTR2AHTR2CTAAR1
SCHEMBL3126685 0.77 ALDH1A1 (0.49) —
SCHEMBL5809547 0.76 HTR2A (1.00) HTR2AHTR2CTAAR1
SCHEMBL23478 0.76 HTR2A (1.00) HTR2AHTR2CTAAR1

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-2023115002-A1 ANALOGS OF 4-BROMO-2,5-DIMETHOXYPHENETHYLAMINE TERRAN BIOSCIENCES INC. (US) 2023-06-22 — — WO disclosed
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