SCHEMBL5496899

SCHEMBL5496899

CC(C)C(N)C(=O)C1NCCS1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.35
SLC7A5 Q01650 1/20 0.34
DPP4 P27487 1/20 0.30
DPP8 Q6V1X1 1/20 0.30
DPP7 Q9UHL4 1/20 0.30

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
SCHEMBL355916 1.00 MAPT (0.35) MAPTSLC7A5DPP4DPP8DPP7
SCHEMBL354706 0.83 DPP4 (0.41) DPP4DPP8DPP7
SCHEMBL353690 0.83 DPP4 (0.41) DPP4DPP8DPP7
SCHEMBL1445688 0.83 DPP4 (0.41) DPP4DPP8DPP7
Hydrochloric Acid SCHEMBL5079153 0.82 DPP4 (0.40) DPP4DPP8DPP7
Hydrochloric Acid SCHEMBL5706355 0.82 DPP4 (0.40) DPP4DPP8DPP7
Hydrochloric Acid SCHEMBL27529254 0.82 DPP4 (0.40) DPP4DPP8DPP7
SCHEMBL25430553 0.79 MAPT (0.46) MAPT
SCHEMBL5493822 0.77 DPP4 (0.33) DPP4
Fumaric Acid SCHEMBL4948911 0.77 DPP4 (0.36) DPP4DPP8DPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166579-B2 Prodrugs of DP IV-inhibitors PROSIDION LIMITED (GB) 2007-01-23 US claimed
US-20050203030-A1 Novel effectors of dipeptidyl peptidase IV PROSIDION LIMITED (GB) 2005-09-15 US claimed
CN-1636593-A Novel effectors of dipeptidyl peptidase IV PROSIDION LTD (GB) 2005-07-13 CN claimed
US-6890905-B2 Methods for improving islet signaling in diabetes mellitus and for its prevention PROSIDION LIMITED (GB) 2005-05-10 US claimed
CN-100348189-C Combination of a DPP-IV inhibitor and a PPAR-alpha compound NOVARTIS AG (CH) 2007-11-14 CN disclosed
CN-101035536-A Combinations of organic compounds NOVARTIS AG (CH) 2007-09-12 CN disclosed
CN-1901938-A Combination of a DPP-IV inhibitor and an anti-obesity or appetite regulating agent NOVARTIS AG (CH) 2007-01-24 CN disclosed
CN-1720042-A Combination of an dpp-iv inhibitor and a ppar-alpha compound NOVARTIS AG (CH) 2006-01-11 CN disclosed