SCHEMBL1649751

SCHEMBL1649751

CC(C)NCCCC[C@H](N)C(=O)N1CCC[C@H]1[C]=O

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 17/20 0.56
DPP7 Q9UHL4 11/20 0.56
DPP8 Q6V1X1 8/20 0.56
DPP9 Q86TI2 5/20 0.56
FAP Q12884 3/20 0.45

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
SCHEMBL4956097 0.83 DPP7 (0.78) DPP4DPP7DPP8DPP9FAP
SCHEMBL8852004 0.83 DPP7 (0.78) DPP4DPP7DPP8DPP9FAP
SCHEMBL2182868 0.83 DPP7 (0.78) DPP4DPP7DPP8DPP9FAP
SCHEMBL1648959 0.83 OPRK1 (0.44) DPP4DPP7DPP8DPP9
SCHEMBL2182923 0.80 DPP4 (0.52) DPP4DPP7DPP8DPP9FAP
SCHEMBL5050089 0.80 DPP4 (0.52) DPP4DPP7DPP8DPP9FAP
SCHEMBL6438877 0.80 DPP4 (0.52) DPP4DPP7DPP8DPP9FAP
SCHEMBL7172842 0.79 DPP4 (0.56) DPP4DPP7DPP8DPP9FAP
SCHEMBL13034923 0.78 DPP4 (0.73) DPP4DPP7DPP8DPP9FAP
SCHEMBL13783426 0.78 DPP4 (0.73) DPP4DPP7DPP8DPP9FAP

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
US-7927613-B2 Pharmaceutical co-crystal compositions UNIVERSITY OF SOUTH FLORIDA (US) 2011-04-19 US disclosed