Sugi Predict

Sugi Predict / Compounds / SCHEMBL27715712

SCHEMBL27715712

SCHEMBL27715712

CCCC(CCCO)N1CCCC1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 16/20 0.36
▸ SLC6A2 P23975 13/20 0.36
▸ SLC6A4 P31645 9/20 0.35
▸ ALDH1A1 P00352 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL27715719 0.94 SMN1; SMN2 (0.36) SLC6A3SLC6A2SLC6A4ALDH1A1SMN1; SMN2
SCHEMBL27715717 0.88 SLC6A3 (0.38) SLC6A3SLC6A2SLC6A4HRH3
SCHEMBL3818014 0.86 SLC6A3 (0.36) SLC6A3SLC6A2SLC6A4
SCHEMBL14160126 0.85 HRH3 (0.40) SLC6A3SLC6A2SLC6A4ALDH1A1HRH3
SCHEMBL898138 0.85 SLC6A3 (0.39) SLC6A3SLC6A2SLC6A4HRH3
SCHEMBL24869964 0.83 HRH3 (0.42) SLC6A3SLC6A2SLC6A4ALDH1A1HRH3
SCHEMBL14204509 0.83 HRH3 (0.42) SLC6A3SLC6A2SLC6A4ALDH1A1HRH3
SCHEMBL21164045 0.83 HRH3 (0.42) SLC6A3SLC6A2SLC6A4ALDH1A1HRH3
SCHEMBL27953379 0.83 HRH3 (0.36) SLC6A3SLC6A2SLC6A4ALDH1A1HRH3
Iodide SCHEMBL15008876 0.83 SLC6A3 (0.38) SLC6A3SLC6A2SLC6A4HRH3

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
CN-101076617-A Electrochemical deposition of tantalum and/or copper in ionic liquids MERCK PATENT GMBH (DE) 2007-11-21 — — CN claimed
CN-101076617-A Electrochemical deposition of tantalum and/or copper in ionic liquids MERCK PATENT GMBH (DE) 2007-11-21 — — CN disclosed