SCHEMBL8259677

SCHEMBL8259677

CN(C)C(=O)[C@@H]1CC(O)CN1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 8/20 0.44
DPP9 Q86TI2 5/20 0.40
DPP8 Q6V1X1 4/20 0.40
GLI1 P08151 1/20 0.40
SMYD3 Q9H7B4 1/20 0.35
CHEK1 O14757 1/20 0.33
CHEK2 O96017 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
ALOX15 P16050 1/20 0.33
CYP2C19 P33261 1/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33

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
SCHEMBL6581948 1.00 DPP4 (0.44) DPP4DPP9DPP8GLI1SMYD3
SCHEMBL30537960 1.00 DPP4 (0.44) DPP4DPP9DPP8GLI1SMYD3
SCHEMBL3827353 1.00 DPP4 (0.44) DPP4DPP9DPP8GLI1SMYD3
SCHEMBL5471209 1.00 DPP4 (0.44) DPP4DPP9DPP8GLI1SMYD3
Hydrochloric Acid SCHEMBL1465100 0.98 DPP4 (0.42) DPP4DPP9DPP8GLI1SMYD3
Hydrochloric Acid SCHEMBL1464735 0.98 DPP4 (0.42) DPP4DPP9DPP8GLI1SMYD3
Hydrochloric Acid SCHEMBL4208729 0.98 DPP4 (0.42) DPP4DPP9DPP8GLI1SMYD3
Trifluoroacetic Acid SCHEMBL2496511 0.88 DPP4 (0.37) DPP4DPP9DPP8GLI1SMYD3
Trifluoroacetic Acid SCHEMBL2494834 0.88 DPP4 (0.37) DPP4DPP9DPP8GLI1SMYD3
Trifluoroacetic Acid SCHEMBL2497613 0.88 DPP4 (0.37) DPP4DPP9DPP8GLI1SMYD3

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
CN-101605798-A Imidazothiazole derivative DAIICHI SANKYO CO LTD (JP) 2009-12-16 CN disclosed
WO-2006100082-A2 SUBSTITUTED OXINDOL DERIVATIVES, DRUGS CONTAINING SAID DERIVATIVES AND THE USE THEREOF ABBOTT GMBH & CO. KG (DE) 2006-09-28 WO disclosed