SCHEMBL3426003

SCHEMBL3426003

CC(C)(C)OC(=O)NC(CC(=O)N1Cc2cccnc2-c2[nH]nc(-c3ccc(F)cc3)c2C1)Cc1cc(F)c(F)cc1F

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 13/20 0.40
DPP8 Q6V1X1 5/20 0.40
DPP7 Q9UHL4 5/20 0.40
DPP9 Q86TI2 4/20 0.40
SLC34A1 Q06495 3/20 0.35
SCN9A Q15858 2/20 0.35
MAPK1 P28482 1/20 0.33

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
SCHEMBL3777322 0.79 DPP4 (0.46) DPP4DPP9SCN9A
SCHEMBL3773275 0.75 DPP4 (0.41) DPP4DPP8DPP7DPP9SCN9A
SCHEMBL3764856 0.74 DPP4 (0.48) DPP4DPP8DPP9SCN9AMAPK1
SCHEMBL3763519 0.74 CASP6 (0.47) DPP4DPP8DPP9SCN9A
SCHEMBL3427590 0.73 DPP4 (0.50) DPP4SCN9A
SCHEMBL3776140 0.72 DPP4 (0.47) DPP4DPP8DPP9
SCHEMBL3776139 0.72 DPP4 (0.47) DPP4DPP8DPP9
SCHEMBL3763506 0.71 DPP4 (0.38) DPP4DPP8DPP9SCN9A
SCHEMBL3763510 0.71 DPP4 (0.38) DPP4DPP8DPP9SCN9A
SCHEMBL787802 0.71 DPP4 (0.42) DPP4DPP8DPP7DPP9SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2250157-A1 NOVEL HETEROCYCLIC COMPOUNDS Panacea Biotec Limited (IN) 2010-11-17 EP disclosed
WO-2009093269-A1 NOVEL HETEROCYCLIC COMPOUNDS PANACEA BIOTEC LIMITED (IN) 2009-07-30 WO disclosed