SCHEMBL4699518

SCHEMBL4699518

N[C@@H](CC(=O)N1CC[CH]CC1)Cc1cc(F)c(F)cc1F

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.68
DPP7 Q9UHL4 1/20 0.67
CYP3A4 P08684 6/20 0.67
DPP9 Q86TI2 3/20 0.64

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
SCHEMBL4699986 1.00 DPP4 (0.68) DPP4DPP7CYP3A4DPP9
SCHEMBL24244598 0.89 DPP4 (0.79) DPP4DPP7CYP3A4DPP9
SCHEMBL28434489 0.89 DPP4 (0.79) DPP4DPP7CYP3A4DPP9
SCHEMBL25840236 0.88 DPP4 (0.77) DPP4DPP7CYP3A4DPP9
SCHEMBL21985110 0.85 DPP4 (0.88) DPP4DPP7CYP3A4DPP9
SCHEMBL21985113 0.85 DPP4 (0.84) DPP4DPP7CYP3A4DPP9
SCHEMBL21985109 0.85 DPP4 (0.88) DPP4DPP7CYP3A4DPP9
SCHEMBL21985108 0.85 DPP4 (0.68) DPP4DPP7CYP3A4DPP9
SCHEMBL29142108 0.85 DPP4 (0.68) DPP4DPP7CYP3A4DPP9
SCHEMBL21985114 0.85 DPP4 (0.84) DPP4DPP7CYP3A4DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1973918-A2 DERIVATIVES OF BETA-AMINO ACID AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS RANBAXY LABORATORIES, LTD. (IN) 2008-10-01 EP claimed
WO-2007077508-A2 DERIVATIVES OF BETA-AMINO ACID AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2007-07-12 WO claimed
EP-1973918-A2 DERIVATIVES OF BETA-AMINO ACID AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS RANBAXY LABORATORIES, LTD. (IN) 2008-10-01 EP disclosed
WO-2007077508-A2 DERIVATIVES OF BETA-AMINO ACID AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2007-07-12 WO disclosed