SCHEMBL7300754

SCHEMBL7300754

CS(=O)(=O)NCCSCC(N)C(=O)N1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 10/20 0.46
DPP4 P27487 3/20 0.46
RECQL P46063 2/20 0.34
DPP8 Q6V1X1 1/20 0.34
XPNPEP1 Q9NQW7 1/20 0.33
ALDH1A1 P00352 2/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL7300747 1.00 DPP7 (0.46) DPP7DPP4RECQLDPP8XPNPEP1
Hydrochloric Acid SCHEMBL6768517 0.99 DPP7 (0.45) DPP7DPP4RECQLDPP8XPNPEP1
Hydrochloric Acid SCHEMBL6768519 0.99 DPP7 (0.45) DPP7DPP4RECQLDPP8XPNPEP1
SCHEMBL7300149 0.84 DPP7 (0.48) DPP7DPP4DPP8
SCHEMBL7300144 0.84 DPP7 (0.48) DPP7DPP4DPP8
Hydrochloric Acid SCHEMBL6772849 0.83 DPP7 (0.47) DPP7DPP4DPP8
SCHEMBL7300262 0.83 DPP7 (0.35) DPP7DPP4DPP8
SCHEMBL7300257 0.83 DPP7 (0.35) DPP7DPP4DPP8
Hydrochloric Acid SCHEMBL6772855 0.83 DPP7 (0.47) DPP7DPP4DPP8
Hydrochloric Acid SCHEMBL6767080 0.82 DPP7 (0.34) DPP7DPP4DPP8

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1245568-A1 Sulfonyl derivatives of amino acids and their use as inhibitors of dipeptidyl-peptidase IV (DPP IV) Les Laboratoires Servier (FR) 2002-10-02 EP disclosed