SCHEMBL4698535

SCHEMBL4698535

COC(=O)c1cc(C)c(S(=O)(=O)NC2CCN(C(=O)C[C@H](N)Cc3cc(F)c(F)cc3F)CC2)s1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.48
DPP7 Q9UHL4 4/20 0.46
DPP9 Q86TI2 4/20 0.45
CYP2D6 P10635 3/20 0.45
DPP8 Q6V1X1 3/20 0.45
CYP3A4 P08684 3/20 0.45

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
SCHEMBL4403915 0.94 DPP4 (0.49) DPP4DPP7DPP9CYP2D6DPP8
SCHEMBL4402210 0.81 DPP4 (0.47) DPP4DPP7DPP9CYP2D6DPP8
SCHEMBL4396792 0.78 DPP4 (0.57) DPP4DPP7DPP9CYP2D6DPP8
SCHEMBL4399262 0.78 DPP4 (0.60) DPP4DPP7DPP9DPP8CYP3A4
SCHEMBL4406694 0.78 DPP4 (0.60) DPP4DPP7DPP9DPP8CYP3A4
SCHEMBL4403549 0.78 DPP4 (0.50) DPP4DPP7DPP9CYP2D6DPP8
SCHEMBL4551513 0.78 DPP4 (0.61) DPP4DPP7DPP9CYP3A4
SCHEMBL4399272 0.78 DPP4 (0.61) DPP4DPP7DPP9CYP3A4
SCHEMBL4398889 0.76 DPP4 (0.64) DPP4DPP7DPP9DPP8CYP3A4
SCHEMBL4412229 0.75 DPP4 (0.51) DPP4DPP7DPP9CYP2D6DPP8

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