SCHEMBL8261998

SCHEMBL8261998

Cc1ccc(S(=O)(=O)NCC23CC4CC(C2)CC(NCC(=O)N2CCCC2C#N)(C4)C3)cc1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 16/20 0.68
FAP Q12884 1/20 0.58
DPP8 Q6V1X1 1/20 0.58
DPP9 Q86TI2 1/20 0.58
PREP P48147 2/20 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
SCHEMBL5820282 0.94 DPP4 (0.68) DPP4FAPDPP8DPP9PREP
SCHEMBL8261002 0.92 DPP4 (0.65) DPP4FAPDPP8DPP9PREP
SCHEMBL5818967 0.92 DPP4 (0.65) DPP4FAPDPP8DPP9PREP
SCHEMBL5804204 0.82 DPP4 (0.62) DPP4FAPDPP8DPP9PREP
SCHEMBL5816338 0.82 DPP4 (0.62) DPP4FAPDPP8DPP9PREP
SCHEMBL6375288 0.81 DPP4 (1.00) DPP4FAPDPP8DPP9PREP
SCHEMBL13025315 0.80 DPP4 (0.60) DPP4FAPDPP8DPP9PREP
SCHEMBL13066745 0.80 DPP4 (0.62) DPP4FAPDPP8DPP9PREP
SCHEMBL12187306 0.80 DPP4 (0.62) DPP4FAPDPP8DPP9PREP
SCHEMBL2877384 0.80 DPP4 (0.62) DPP4FAPDPP8DPP9PREP

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-2006090244-A1 NEW ADAMANTANE DERIVATIVES AS DIPEPTIDYL, PEPTIDASE IV INHIBITORS, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (US) 2006-08-31 WO disclosed