SCHEMBL25236494

SCHEMBL25236494

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

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 18/20 0.59
▸ HTR2C P28335 5/20 0.59
▸ TAAR1 Q96RJ0 3/20 0.59

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
SCHEMBL29279556 0.84 TAAR1 (0.49) HTR2ATAAR1
SCHEMBL25280509 0.80 HTR2A (0.61) HTR2AHTR2CTAAR1
SCHEMBL29279526 0.79 HTR2A (0.50) HTR2AHTR2CTAAR1
SCHEMBL29279565 0.78 HTR2A (0.47) HTR2AHTR2CTAAR1
SCHEMBL29279597 0.78 HTR2A (0.49) HTR2AHTR2CTAAR1
SCHEMBL28633458 0.78 ALDH1A1 (0.48) —
SCHEMBL29171822 0.77 TAAR1 (0.39) HTR2AHTR2CTAAR1
Acetic Acid SCHEMBL31176574 0.77 HTR2A (0.81) HTR2AHTR2CTAAR1
SCHEMBL5309312 0.77 HTR2A (0.70) HTR2AHTR2CTAAR1
SCHEMBL29279598 0.76 ADRA1A (0.59) HTR2ATAAR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117642379-A Phenylalkylamines and methods of making and using the same 吉尔伽美什制药公司 2024-03-01 — — CN disclosed
WO-2023115002-A1 ANALOGS OF 4-BROMO-2,5-DIMETHOXYPHENETHYLAMINE TERRAN BIOSCIENCES INC. (US) 2023-06-22 — — WO disclosed
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