SCHEMBL8279686

SCHEMBL8279686

CCC[S+]([O-])N1CCC(c2ccccn2)([C@H](C)NC(=O)CC(C)C(F)(F)F)CC1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 16/20 0.46
DPP4 P27487 1/20 0.31

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
SCHEMBL3561337 0.82 SLC6A9 (0.68) SLC6A9
SCHEMBL18293518 0.77 SLC6A9 (0.48) SLC6A9
SCHEMBL18274663 0.69 SLC6A9 (0.44) SLC6A9
SCHEMBL4066137 0.66 SLC6A9 (0.49) SLC6A9
SCHEMBL3557643 0.64 SLC6A9 (0.67) SLC6A9
SCHEMBL3565781 0.64 SLC6A9 (0.67) SLC6A9
SCHEMBL3554710 0.62 SLC6A9 (0.67) SLC6A9
SCHEMBL3559226 0.62 SLC6A9 (0.75) SLC6A9
SCHEMBL3564093 0.61 SLC6A9 (0.66) SLC6A9
SCHEMBL761331 0.61 SLC6A9 (0.76) SLC6A9

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-1729772-B1 HETEROARYL PIPERIDINE GLYCINE TRANSPORTER INHIBITORS MERCK SHARP & DOHME (US) 2016-12-07 EP disclosed
WO-2005094514-A2 HETEROARYL PIPERIDINE GLYCINE TRANSPORTER INHIBITORS MERCK & CO., INC. (US) 2005-10-13 WO disclosed