Sugi Predict

Sugi Predict / Compounds / SCHEMBL27715717

SCHEMBL27715717

SCHEMBL27715717

CCCC(CCO)N1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 18/20 0.38
▸ SLC6A2 P23975 15/20 0.38
▸ SLC6A4 P31645 11/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL898138 0.89 SLC6A3 (0.39) SLC6A3SLC6A2SLC6A4HRH3
SCHEMBL27715712 0.88 SLC6A3 (0.36) SLC6A3SLC6A2SLC6A4HRH3
SCHEMBL3302667 0.86 SLC6A3 (0.38) SLC6A3SLC6A2SLC6A4HRH3
Iodide SCHEMBL15008876 0.86 SLC6A3 (0.38) SLC6A3SLC6A2SLC6A4HRH3
SCHEMBL27715719 0.86 SMN1; SMN2 (0.36) SLC6A3SLC6A2SLC6A4
SCHEMBL27715713 0.84 SLC6A3 (0.39) SLC6A3SLC6A2SLC6A4
SCHEMBL22701318 0.84 SLC6A3 (0.35) SLC6A3SLC6A2SLC6A4HRH3
SCHEMBL31554919 0.83 LMNA (0.39) HRH3
SCHEMBL27883571 0.82 SIGMAR1 (0.36) SLC6A3SLC6A2SLC6A4HRH3
Hydrochloric Acid SCHEMBL31554886 0.81 L3MBTL1 (0.39) HRH3

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