Sugi Predict

Sugi Predict / Compounds / SCHEMBL5140924

SCHEMBL5140924

SCHEMBL5140924

NCCC1(c2ccc3ccccc3c2)CCCCC1

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 16/20 0.77
▸ SLC6A3 Q01959 16/20 0.77
▸ SLC6A2 P23975 7/20 0.77
▸ KCNH2 Q12809 1/20 0.46

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
SCHEMBL3518513 0.87 SLC6A4 (1.00) SLC6A4SLC6A3SLC6A2
SCHEMBL17029616 0.86 SLC6A4 (0.65) SLC6A4SLC6A3SLC6A2
Hydrochloric Acid SCHEMBL5310334 0.83 SLC6A4 (0.61) SLC6A4SLC6A3SLC6A2
SCHEMBL5086343 0.80 SLC6A4 (0.74) SLC6A4SLC6A3SLC6A2KCNH2
SCHEMBL5089843 0.80 SLC6A4 (0.74) SLC6A4SLC6A3SLC6A2KCNH2
SCHEMBL2864514 0.79 DPP4 (0.68) SLC6A4SLC6A3SLC6A2
SCHEMBL15862766 0.78 SLC6A4 (0.68) SLC6A4SLC6A3SLC6A2
SCHEMBL17708138 0.78 SLC6A4 (0.62) SLC6A4SLC6A3SLC6A2KCNH2
SCHEMBL17029605 0.78 SLC6A4 (0.70) SLC6A4SLC6A3SLC6A2KCNH2
Hydrochloric Acid SCHEMBL10669389 0.78 DPP4 (0.66) SLC6A4SLC6A3SLC6A2

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
EP-1976513-A2 CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS Sepracor, Inc. (US) 2008-10-08 — — EP disclosed
WO-2007081857-A2 CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS SEPRACOR INC. (US) 2007-07-19 — — WO disclosed