Sugi Predict

Sugi Predict / Compounds / SCHEMBL5085799

SCHEMBL5085799

SCHEMBL5085799

CN(C)CCC1(c2cccc3ccccc23)CCCCC1

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 13/20 0.74
▸ SLC6A2 P23975 8/20 0.74
▸ SLC6A4 P31645 13/20 0.61
▸ CYP2D6 P10635 1/20 0.49
▸ HTR1B P28222 3/20 0.44

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
SCHEMBL3516027 0.85 SLC6A3 (1.00) SLC6A3SLC6A2SLC6A4
SCHEMBL7652069 0.81 SLC6A3 (0.63) SLC6A3SLC6A2SLC6A4
SCHEMBL7650154 0.80 SLC6A3 (0.67) SLC6A3SLC6A2SLC6A4
SCHEMBL5089817 0.80 SLC6A3 (0.77) SLC6A3SLC6A2SLC6A4HTR1B
SCHEMBL7649384 0.79 SLC6A3 (0.61) SLC6A3SLC6A2SLC6A4CYP2D6
SCHEMBL5086438 0.79 SLC6A4 (0.74) SLC6A3SLC6A2SLC6A4HTR1B
SCHEMBL7652630 0.78 SLC6A3 (0.60) SLC6A3SLC6A2SLC6A4
SCHEMBL27909073 0.76 SLC6A3 (0.71) SLC6A3SLC6A2SLC6A4
SCHEMBL7654532 0.76 SLC6A3 (0.71) SLC6A3SLC6A2SLC6A4
SCHEMBL3517653 0.76 SLC6A3 (1.00) SLC6A3SLC6A2SLC6A4

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