SCHEMBL787571

SCHEMBL787571

CN1C(=O)CN(C(=O)CC(N)Cc2cc(F)c(F)cc2F)Cc2ccc(F)cc21

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.63
DPP9 Q86TI2 1/20 0.58
CYP3A4 P08684 4/20 0.55
DPP8 Q6V1X1 1/20 0.51

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
SCHEMBL787570 1.00 DPP4 (0.63) DPP4DPP9CYP3A4DPP8
SCHEMBL3427750 0.89 DPP4 (0.64) DPP4DPP9CYP3A4
SCHEMBL3427743 0.89 DPP4 (0.64) DPP4DPP9CYP3A4
SCHEMBL8029735 0.88 DPP4 (0.58) DPP4DPP9CYP3A4DPP8
SCHEMBL8030088 0.82 DPP4 (0.61) DPP4DPP9CYP3A4DPP8
SCHEMBL8031152 0.81 DPP4 (0.55) DPP4DPP9CYP3A4DPP8
SCHEMBL8029011 0.80 DPP4 (0.51) DPP4DPP9CYP3A4DPP8
SCHEMBL8028181 0.80 DPP4 (0.54) DPP4DPP9CYP3A4DPP8
SCHEMBL4399771 0.79 DPP4 (0.67) DPP4DPP9CYP3A4DPP8
SCHEMBL8033038 0.79 DPP4 (0.64) DPP4CYP3A4

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-2012035549-A2 AN IMPROVED PROCESS FOR THE SYNTHESIS OF BETA AMINO ACID DERIVATIVES PANACEA BIOTEC LTD (IN) 2012-03-22 WO disclosed