Sugi Predict

Sugi Predict / Compounds / SCHEMBL9996353

SCHEMBL9996353

SCHEMBL9996353

CCCNC(=O)COC(c1cccc(Cl)c1)[C@@H]1CCCNC1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 7/20 0.44
▸ SLC6A4 P31645 7/20 0.44
▸ SLC6A3 Q01959 6/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ REN P00797 4/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ KCNH2 Q12809 1/20 0.39

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
SCHEMBL3604509 1.00 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3CYP2D6REN
SCHEMBL9996720 1.00 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3CYP2D6REN
SCHEMBL9996716 1.00 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3CYP2D6REN
SCHEMBL9996377 0.92 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3CYP2D6REN
SCHEMBL9996379 0.92 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3CYP2D6REN
SCHEMBL12022698 0.92 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3CYP2D6REN
SCHEMBL3612401 0.92 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3CYP2D6REN
SCHEMBL3612407 0.92 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3CYP2D6REN
SCHEMBL9996369 0.91 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3CYP2D6REN
SCHEMBL3609091 0.91 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3CYP2D6REN

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
EP-1966139-B1 ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS INC (US) 2011-12-21 — — EP disclosed