SCHEMBL5804593

SCHEMBL5804593

O=C(CNC12CC3CC(C1)CC(NCC(=O)N1CCSC1)(C3)C2)N1CCSC1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP9 Q86TI2 11/20 0.55
DPP8 Q6V1X1 10/20 0.55
GLMN Q92990 1/20 0.55
DPP4 P27487 9/20 0.55
FAP Q12884 1/20 0.43

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
SCHEMBL5789566 0.91 DPP9 (0.60) DPP9DPP8GLMNDPP4FAP
SCHEMBL12187041 0.82 LMNA (0.50) DPP9DPP8GLMNDPP4
SCHEMBL30730737 0.73 DPP4 (0.73) DPP9DPP8GLMNDPP4FAP
SCHEMBL1038132 0.73 DPP4 (0.73) DPP9DPP8GLMNDPP4FAP
SCHEMBL4419351 0.71 DPP4 (0.48) DPP9DPP8DPP4
SCHEMBL3160947 0.71 DPP4 (1.00) DPP9DPP8GLMNDPP4FAP
SCHEMBL2877462 0.70 POLB (0.55) DPP9DPP8DPP4
SCHEMBL19258546 0.70 DPP4 (0.68) DPP9DPP8GLMNDPP4FAP
SCHEMBL18373779 0.70 DPP4 (0.68) DPP9DPP8GLMNDPP4FAP
SCHEMBL5806233 0.70 DPP4 (0.57) DPP9DPP8DPP4FAP

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
WO-2006012441-A1 PEPTIDASE INHIBITORS ROYALTY SUSAN MARIE (US) 2006-02-02 WO disclosed