SCHEMBL4726503

SCHEMBL4726503

CC(C)CCN(C(=O)Oc1cccc2ccccc12)C1CCNC1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 20/20 0.50
SLC6A4 P31645 20/20 0.50
SLC6A3 Q01959 16/20 0.50
KCNH2 Q12809 7/20 0.50
CYP2D6 P10635 3/20 0.50
OPRK1 P41145 1/20 0.45

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
SCHEMBL4667826 0.92 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL4776529 0.83 SLC6A4 (0.52) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
Hydrochloric Acid SCHEMBL7664313 0.82 SLC6A4 (0.55) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL4665146 0.81 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL4669138 0.80 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL4781103 0.79 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL4667621 0.76 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL4668125 0.76 SLC6A4 (0.54) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL4635094 0.75 SLC6A2 (0.73) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL6412172 0.74 SLC6A4 (0.84) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6

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-1638933-B1 N-PYRROLIDIN-3-YL-AMIDE DERIVATIVES AS SEROTONIN AND NORADRENALINE RE-UPTAKE INHIBITORS PFIZER LTD (GB) 2008-06-11 EP claimed