SCHEMBL30496580

SCHEMBL30496580

COc1cc(CCN(CCC(N)=O)CCC(N)=O)c(OC)cc1Br

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 18/20 0.58
▸ HTR2C P28335 5/20 0.54
▸ TAAR1 Q96RJ0 3/20 0.54
▸ SMN1; SMN2 Q16637 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
SCHEMBL25280509 0.84 HTR2A (0.61) HTR2AHTR2CTAAR1SMN1; SMN2
SCHEMBL25710651 0.81 HTR2A (0.58) HTR2AHTR2CTAAR1SMN1; SMN2
SCHEMBL30496586 0.81 HTR2A (0.58) HTR2AHTR2CTAAR1SMN1; SMN2
SCHEMBL25280473 0.78 HTR2A (0.63) HTR2AHTR2CTAAR1
SCHEMBL25716289 0.77 HTR2A (0.57) HTR2AHTR2CTAAR1SMN1; SMN2
SCHEMBL25710648 0.77 HTR2A (0.50) HTR2AHTR2CTAAR1SMN1; SMN2
SCHEMBL30496562 0.77 HTR2A (0.50) HTR2AHTR2CTAAR1
SCHEMBL25243140 0.75 HTR2A (0.61) HTR2AHTR2CTAAR1
SCHEMBL25236494 0.74 HTR2A (0.59) HTR2AHTR2CTAAR1
SCHEMBL25237373 0.74 HTR2A (0.60) HTR2AHTR2CTAAR1SMN1; SMN2

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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