SCHEMBL3793975

SCHEMBL3793975

O=C(CC(Cc1cc(F)c(F)cc1F)=NO)N1CCn2c(nnc2C(F)(F)F)C1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 20/20 0.63
▸ DPP8 Q6V1X1 9/20 0.63
▸ DPP7 Q9UHL4 3/20 0.63
▸ DPP9 Q86TI2 2/20 0.63
▸ ACE P12821 1/20 0.63
▸ HTR2A P28223 1/20 0.63
▸ FAP Q12884 1/20 0.63

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
SCHEMBL3793968 1.00 DPP4 (0.63) DPP4DPP8DPP7DPP9ACE
SCHEMBL4535126 0.89 DPP4 (0.59) DPP4DPP8DPP7DPP9ACE
SCHEMBL4535123 0.89 DPP4 (0.59) DPP4DPP8DPP7DPP9ACE
SCHEMBL8031053 0.88 DPP4 (0.52) DPP4DPP8DPP7DPP9ACE
SCHEMBL29558815 0.88 DPP4 (0.67) DPP4DPP8DPP7DPP9ACE
SCHEMBL214373 0.88 DPP4 (0.67) DPP4DPP8DPP7DPP9ACE
SCHEMBL28452793 0.84 DPP4 (0.63) DPP4DPP8DPP7DPP9ACE
SCHEMBL15042308 0.84 DPP4 (0.54) DPP4DPP8DPP7DPP9ACE
SCHEMBL15043505 0.84 DPP4 (0.54) DPP4DPP8DPP7DPP9ACE
SCHEMBL18563379 0.81 DPP4 (0.66) DPP4DPP8DPP7DPP9ACE

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
WO-2010122578-A2 PROCESS FOR THE PREPARATION OF SITAGLIPTIN AND ITS INTERMEDIATES MSN LABORATORIES LIMITED (IN) 2010-10-28 — — WO claimed
WO-2010122578-A2 PROCESS FOR THE PREPARATION OF SITAGLIPTIN AND ITS INTERMEDIATES MSN LABORATORIES LIMITED (IN) 2010-10-28 — — WO disclosed
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