SCHEMBL5039779

SCHEMBL5039779

CCCS(=O)(=O)N1CCC(CCN)(c2ccccn2)CC1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 19/20 0.63
KDM4E B2RXH2 1/20 0.53
HSD17B10 Q99714 1/20 0.53

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
SCHEMBL8279640 0.91 SLC6A9 (0.66) SLC6A9KDM4EHSD17B10
SCHEMBL4057663 0.81 SLC6A9 (0.57) SLC6A9KDM4EHSD17B10
SCHEMBL3885816 0.81 SLC6A9 (0.53) SLC6A9KDM4EHSD17B10
SCHEMBL18274654 0.81 SLC6A9 (0.59) SLC6A9KDM4EHSD17B10
SCHEMBL3559578 0.80 SLC6A9 (0.83) SLC6A9
SCHEMBL3561972 0.79 KDM4E (0.56) SLC6A9KDM4EHSD17B10
SCHEMBL760544 0.79 SLC6A9 (0.58) SLC6A9KDM4EHSD17B10
SCHEMBL761055 0.79 SLC6A9 (0.58) SLC6A9KDM4EHSD17B10
SCHEMBL3561259 0.78 SLC6A9 (0.56) SLC6A9KDM4EHSD17B10
SCHEMBL760024 0.78 SLC6A9 (0.56) SLC6A9KDM4EHSD17B10

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-1942733-A2 RADIOLABELED GLYCINE TRANSPORTER INHIBITORS Merck & Co., Inc. (US) 2008-07-16 EP disclosed
WO-2007041025-A2 RADIOLABELED GLYCINE TRANSPORTER INHIBITORS MERCK & CO., INC. (US) 2007-04-12 WO disclosed