SCHEMBL8123723

SCHEMBL8123723

CC(C)(C)OC(=O)N[C@H](C(=O)N1C2C[C@H]2C[C@H]1C#N)C12CC3CC(CC(O)(C3)C1)C2

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.62
CYP3A4 P08684 2/20 0.62
DPP8 Q6V1X1 2/20 0.62
DPP9 Q86TI2 2/20 0.62

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
SCHEMBL8271705 1.00 DPP4 (0.62) DPP4CYP3A4DPP8DPP9
SCHEMBL3508104 1.00 DPP4 (0.62) DPP4CYP3A4DPP8DPP9
SCHEMBL29752493 1.00 DPP4 (0.62) DPP4CYP3A4DPP8DPP9
SCHEMBL8271030 1.00 DPP4 (0.62) DPP4CYP3A4DPP8DPP9
SCHEMBL8127608 1.00 DPP4 (0.62) DPP4CYP3A4DPP8DPP9
SCHEMBL15847121 1.00 DPP4 (0.62) DPP4CYP3A4DPP8DPP9
SCHEMBL17598284 0.91 DPP4 (0.62) DPP4CYP3A4DPP8DPP9
SCHEMBL15927521 0.90 DPP4 (0.57) DPP4CYP3A4DPP8DPP9
SCHEMBL8328208 0.88 DPP4 (0.46) DPP4CYP3A4DPP8DPP9
SCHEMBL14532904 0.88 DPP4 (0.46) DPP4CYP3A4DPP8DPP9

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
US-8802715-B2 Crystal forms of saxagliptin and processes for preparing same ASTRAZENECA AB (SE) 2014-08-12 US disclosed
WO-2008131149-A2 CRYSTAL FORMS OF SAXAGLIPTIN AND PROCESSES FOR PREPARING SAME BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-30 WO disclosed