SCHEMBL5100742

SCHEMBL5100742

CCOC(C=O)[C@H]1CCCN1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 7/20 0.37
SLC6A2 P23975 6/20 0.37
SLC6A4 P31645 5/20 0.37

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
SCHEMBL7374113 0.75 SLC6A3 (0.40) SLC6A3SLC6A2SLC6A4
SCHEMBL28529030 0.74 SLC6A2 (0.37) SLC6A3SLC6A2SLC6A4
SCHEMBL17243210 0.71 SLC6A3 (0.45) SLC6A3SLC6A2SLC6A4
SCHEMBL27840661 0.70 SLC6A2 (0.35) SLC6A3SLC6A2SLC6A4
SCHEMBL6471717 0.70 FDPS (0.38) SLC6A3SLC6A2SLC6A4
SCHEMBL6050232 0.69 SLC6A2 (0.42) SLC6A3SLC6A2SLC6A4
SCHEMBL2960385 0.69 SLC6A2 (0.34) SLC6A3SLC6A2SLC6A4
SCHEMBL1012744 0.69 SLC6A2 (0.34) SLC6A3SLC6A2SLC6A4
SCHEMBL22798756 0.68 SLC6A3 (0.42) SLC6A3SLC6A2SLC6A4
SCHEMBL14964824 0.68 SLC6A2 (0.33) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7326791-B2 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-02-05 US disclosed