SCHEMBL4066137

SCHEMBL4066137

CCC[S+]([O-])N1CCC(c2ccccn2)(C(C)(C)NC(=O)c2c(F)ccc(F)c2Cl)CC1

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 20/20 0.49

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
SCHEMBL3559623 0.83 SLC6A9 (0.71) SLC6A9
SCHEMBL3558778 0.70 SLC6A9 (0.57) SLC6A9
SCHEMBL3556793 0.66 SLC6A9 (0.71) SLC6A9
SCHEMBL3559549 0.66 SLC6A9 (1.00) SLC6A9
SCHEMBL8279686 0.66 SLC6A9 (0.46) SLC6A9
SCHEMBL3560558 0.65 SLC6A9 (0.68) SLC6A9
SCHEMBL3553065 0.65 SLC6A9 (0.58) SLC6A9
SCHEMBL3560295 0.65 SLC6A9 (0.76) SLC6A9
SCHEMBL4061638 0.63 SLC6A9 (0.77) SLC6A9
SCHEMBL4061641 0.63 SLC6A9 (0.74) 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