SCHEMBL4065375

SCHEMBL4065375

CCCS(=O)(=O)N1CCC(CC(C)NC(=O)c2ccc(Cl)cc2Cl)(c2ccccn2)CC1

nearest known ligand 0.77

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 20/20 0.77

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
SCHEMBL4055929 0.89 SLC6A9 (0.65) SLC6A9
SCHEMBL4063887 0.88 SLC6A9 (0.77) SLC6A9
SCHEMBL3566742 0.87 SLC6A9 (1.00) SLC6A9
SCHEMBL3557939 0.87 SLC6A9 (1.00) SLC6A9
SCHEMBL4061601 0.85 SLC6A9 (0.60) SLC6A9
SCHEMBL4061638 0.84 SLC6A9 (0.77) SLC6A9
SCHEMBL4377315 0.82 SLC6A9 (0.57) SLC6A9
SCHEMBL4065379 0.82 SLC6A9 (0.79) SLC6A9
SCHEMBL8278420 0.82 SLC6A9 (0.91) SLC6A9
SCHEMBL3885160 0.82 SLC6A9 (0.84) 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 3 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