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SCHEMBL5025259

SCHEMBL5025259

O=C1N=C(NC23CC4CC(CC(O)(C4)C2)C3)C(=O)C12CCCC2

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 9/20 0.34
▸ DPP8 Q6V1X1 2/20 0.34
▸ FAP Q12884 1/20 0.34
▸ DPP9 Q86TI2 1/20 0.34
▸ GSK3A P49840 6/20 0.34
▸ GSK3B P49841 5/20 0.34
▸ EPHX2 P34913 2/20 0.33
▸ DPP7 Q9UHL4 1/20 0.32
▸ AURKA O14965 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
SCHEMBL1606552 0.73 DPP4 (0.34) DPP4DPP8FAPDPP9GSK3A
SCHEMBL5025260 0.73 GSK3A (0.35) DPP4DPP8FAPDPP9GSK3A
SCHEMBL5017231 0.65 HSD11B1 (0.47) DPP4DPP8GSK3AGSK3BEPHX2
SCHEMBL26092072 0.65 GSK3A (0.38) DPP4DPP8FAPDPP9GSK3A
SCHEMBL1605328 0.64 CNR2 (0.35) DPP4DPP8GSK3AGSK3BEPHX2
SCHEMBL1605453 0.62 CNR2 (0.37) DPP4DPP8GSK3AGSK3BEPHX2
SCHEMBL2853219 0.62 DPP4 (0.50) DPP4DPP8FAPDPP9EPHX2
SCHEMBL28146962 0.62 DPP4 (0.50) DPP4DPP8FAPDPP9EPHX2
SCHEMBL26094833 0.62 CNR2 (0.37) DPP4DPP8FAPDPP9GSK3A
SCHEMBL160300 0.60 DPP4 (0.58) DPP4DPP8FAPDPP9DPP7

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-1753736-B1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 AMGEN INC (US) 2008-12-17 — — EP disclosed