SCHEMBL4055929

SCHEMBL4055929

CC(CC1(c2ccccn2)CCN(S(=O)(=O)N2CCC2)CC1)NC(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.65

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 20/20 0.65

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
SCHEMBL4061601 0.91 SLC6A9 (0.60) SLC6A9
SCHEMBL4065375 0.89 SLC6A9 (0.77) SLC6A9
SCHEMBL8281365 0.85 SLC6A9 (0.82) SLC6A9
SCHEMBL4377315 0.82 SLC6A9 (0.57) SLC6A9
SCHEMBL4067443 0.82 SLC6A9 (0.62) SLC6A9
SCHEMBL13037334 0.79 SLC6A9 (0.77) SLC6A9
SCHEMBL3565842 0.79 SLC6A9 (0.56) SLC6A9
SCHEMBL3564294 0.79 SLC6A9 (1.00) SLC6A9
SCHEMBL3562067 0.78 SLC6A9 (0.90) SLC6A9
SCHEMBL3558597 0.77 SLC6A9 (1.00) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1729772-A4 HETEROARYL PIPERIDINE GLYCINE TRANSPORTER INHIBITORS MERCK & CO INC (US) 2009-05-27 EP claimed
EP-1729772-A2 HETEROARYL PIPERIDINE GLYCINE TRANSPORTER INHIBITORS Merck and Co., Inc. (US) 2006-12-13 EP claimed
WO-2005094514-A2 HETEROARYL PIPERIDINE GLYCINE TRANSPORTER INHIBITORS MERCK & CO., INC. (US) 2005-10-13 WO claimed
EP-1729772-A4 HETEROARYL PIPERIDINE GLYCINE TRANSPORTER INHIBITORS MERCK & CO INC (US) 2009-05-27 EP disclosed
EP-1729772-A2 HETEROARYL PIPERIDINE GLYCINE TRANSPORTER INHIBITORS Merck and Co., Inc. (US) 2006-12-13 EP disclosed
WO-2005094514-A2 HETEROARYL PIPERIDINE GLYCINE TRANSPORTER INHIBITORS MERCK & CO., INC. (US) 2005-10-13 WO disclosed