SCHEMBL4282569

SCHEMBL4282569

CCCS(=O)(=O)N1CCC(c2ccccc2)(C(C)NC(=O)c2ccccc2I)CC1

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 17/20 0.71
POLB P06746 1/20 0.43
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
USP2 O75604 1/20 0.41

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
SCHEMBL5585099 0.87 SLC6A9 (0.71) SLC6A9POLBGAAPKM
SCHEMBL5584840 0.86 SLC6A9 (0.68) SLC6A9USP2
SCHEMBL5584895 0.84 SLC6A9 (0.66) SLC6A9POLBUSP2
SCHEMBL5585003 0.84 SLC6A9 (0.66) SLC6A9POLBUSP2
SCHEMBL5584923 0.84 SLC6A9 (0.66) SLC6A9USP2
SCHEMBL5584555 0.84 SLC6A9 (0.66) SLC6A9POLBUSP2
SCHEMBL5584496 0.83 SLC6A9 (0.78) SLC6A9
SCHEMBL14538122 0.83 SLC6A9 (0.78) SLC6A9
SCHEMBL5584931 0.83 SLC6A9 (0.72) SLC6A9USP2
SCHEMBL5591035 0.83 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1684759-A4 4-PHENYL PIPERDINE SULFONYL GLYCINE TRANSPORTER INHIBITORS MERCK & CO INC (US) 2009-06-10 EP disclosed
EP-1684759-A2 4-PHENYL PIPERDINE SULFONYL GLYCINE TRANSPORTER INHIBITORS Merck & Co., Inc. (US) 2006-08-02 EP disclosed
WO-2005046601-A2 4-PHENYL PIPERDINE SULFONYL GLYCINE TRANSPORTER INHIBITORS MERCK & CO., INC. (US) 2005-05-26 WO disclosed