SCHEMBL25707154

SCHEMBL25707154

COc1cc(CCNC(=O)[C@@H](N)CCSC)c(OC)cc1Br

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 1/20 0.51
▸ HTR2A P28223 13/20 0.50
▸ HTR2C P28335 4/20 0.46
▸ TAAR1 Q96RJ0 3/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ MARS1 P56192 3/20 0.44
▸ POLB P06746 1/20 0.42
▸ KMT2A Q03164 1/20 0.42

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
SCHEMBL25707158 0.86 HTR2A (0.50) HTR2AHTR2CTAAR1SMN1; SMN2POLB
SCHEMBL25707143 0.85 HTR2A (0.51) HTR2AHTR2CTAAR1SMN1; SMN2
SCHEMBL25285335 0.85 HTR2A (0.51) HTR2AHTR2CTAAR1SMN1; SMN2
Hydrochloric Acid SCHEMBL25240543 0.84 HTR2A (0.50) HTR2AHTR2CTAAR1SMN1; SMN2
SCHEMBL25707149 0.84 HTR2A (0.52) HTR2AHTR2CTAAR1SMN1; SMN2POLB
SCHEMBL25707157 0.84 HTR2A (0.52) HTR2AHTR2CTAAR1SMN1; SMN2POLB
SCHEMBL25707146 0.83 HTR2A (0.57) HTR2AHTR2CTAAR1SMN1; SMN2POLB
SCHEMBL25238170 0.81 HTR2A (0.61) HTR2AHTR2CTAAR1SMN1; SMN2
SCHEMBL25283339 0.81 HTR2A (0.55) HTR2AHTR2CTAAR1SMN1; SMN2POLB
SCHEMBL25283338 0.81 HTR2A (0.55) HTR2AHTR2CTAAR1SMN1; SMN2POLB

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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