SCHEMBL25280473

SCHEMBL25280473

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

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 20/20 0.63
▸ HTR2C P28335 8/20 0.55
▸ TAAR1 Q96RJ0 1/20 0.54

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
SCHEMBL25280509 0.84 HTR2A (0.61) HTR2AHTR2CTAAR1
SCHEMBL25424120 0.79 HTR2A (0.67) HTR2AHTR2CTAAR1
SCHEMBL30496580 0.78 HTR2A (0.58) HTR2AHTR2CTAAR1
SCHEMBL25238411 0.78 HTR2A (0.63) HTR2AHTR2C
SCHEMBL25567869 0.77 CD274 (0.38) HTR2A
SCHEMBL31307673 0.77 HTR2A (0.65) HTR2AHTR2CTAAR1
SCHEMBL25706441 0.77 HTR2A (0.65) HTR2AHTR2CTAAR1
SCHEMBL25239250 0.77 HTR2A (0.65) HTR2AHTR2CTAAR1
SCHEMBL25706938 0.77 HTR2A (0.65) HTR2AHTR2CTAAR1
SCHEMBL30496563 0.77 HTR2A (0.70) HTR2AHTR2C

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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