SCHEMBL4708341

SCHEMBL4708341

Cc1ccc(-c2c(CC(C)(C)C)c(CC3CC3)nc3ccc(O)cc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.38
DPP9 Q86TI2 5/20 0.37
DPP8 Q6V1X1 3/20 0.37
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36

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
SCHEMBL3903159 0.85 DPP4 (0.41) DPP4
SCHEMBL4704039 0.83 DPP4 (0.56) DPP4
SCHEMBL4708340 0.82 GRIN1 (0.36) DPP4GRIN1GRIN2B
SCHEMBL3893787 0.80 ESRRB (0.41) DPP4GRIN1GRIN2B
SCHEMBL4735167 0.78 DPP4 (0.38) DPP4GRIN1GRIN2B
SCHEMBL3901981 0.77 DPP4 (0.47) DPP4DPP9DPP8
SCHEMBL3897670 0.75 ESRRB (0.41) DPP4DPP9DPP8
SCHEMBL3901983 0.72 DPP4 (0.41) DPP4DPP9DPP8
SCHEMBL3892568 0.71 DPP4 (0.45) DPP4DPP9DPP8
SCHEMBL3890623 0.70 DPP4 (0.61) DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1527049-B8 FUSED HETEROCYCLIC COMPOUNDS AS PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2008-10-29 EP disclosed
EP-1527049-A2 FUSED HETEROCYCLIC COMPOUNDS AS PEPTIDASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2005-05-04 EP disclosed
WO-2004014860-A2 FUSED HETEROCYCLIC COMPOUNDS AS PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-02-19 WO disclosed