Sugi Predict

Sugi Predict / Compounds / Brasofensine

Brasofensine

Brasofensine

SCHEMBL1649206

CO/N=C/[C@H]1C2CCC(C[C@@H]1c1ccc(Cl)c(Cl)c1)N2C

nearest known ligand 0.60

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Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 11/20 0.60
▸ SLC6A4 P31645 7/20 0.60
▸ SLC6A2 P23975 3/20 0.60

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
Brasofensine SCHEMBL20390946 1.00 SLC6A3 (0.60) SLC6A3SLC6A4SLC6A2
Brasofensine SCHEMBL14762214 1.00 SLC6A3 (0.60) SLC6A3SLC6A4SLC6A2
Brasofensine SCHEMBL539079 1.00 SLC6A3 (0.60) SLC6A3SLC6A4SLC6A2
Brasofensine SCHEMBL20390950 1.00 SLC6A3 (0.60) SLC6A3SLC6A4SLC6A2
Brasofensine SCHEMBL5031138 0.94 SLC6A3 (0.58) SLC6A3SLC6A4SLC6A2
Brasofensine SCHEMBL29426326 0.92 SLC6A3 (0.58) SLC6A3SLC6A4SLC6A2
SCHEMBL3671497 0.89 SLC6A3 (0.59) SLC6A3SLC6A4SLC6A2
Hydrochloric Acid SCHEMBL7362088 0.88 SLC6A3 (0.58) SLC6A3SLC6A4SLC6A2
SCHEMBL7460089 0.86 SLC6A3 (0.59) SLC6A3SLC6A4SLC6A2
SCHEMBL7455410 0.86 SLC6A3 (0.59) SLC6A3SLC6A4SLC6A2

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
US-7927613-B2 Pharmaceutical co-crystal compositions UNIVERSITY OF SOUTH FLORIDA (US) 2011-04-19 — — US disclosed
US-7790905-B2 Pharmaceutical propylene glycol solvate compositions MCNEIL-PPC, INC. (US) 2010-09-07 — — US disclosed