SCHEMBL4963191

SCHEMBL4963191

O=C(ON1CCCCC1)[C@@H]1CCCN1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 12/20 0.41
DPP8 Q6V1X1 5/20 0.41
DPP9 Q86TI2 4/20 0.41
FAP Q12884 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
NOS2 P35228 2/20 0.37
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
ANPEP P15144 1/20 0.33
PRCP P42785 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
SCHEMBL444869 0.98 DPP4 (0.42) DPP4DPP8DPP9FAPDPP7
SCHEMBL10905658 0.85 DPP4 (0.39) DPP4DPP8DPP9FAPDPP7
SCHEMBL28071490 0.85 DPP4 (0.53) DPP4DPP8DPP9FAPDPP7
Hydrochloric Acid SCHEMBL28071357 0.83 DPP4 (0.51) DPP4DPP8DPP9FAPDPP7
SCHEMBL28407251 0.83 DPP4 (0.36) DPP4DPP8DPP9FAPDPP7
SCHEMBL195277 0.77 DPP4 (0.35) DPP4DPP8DPP9FAPDPP7
SCHEMBL6859669 0.74 NOS2 (0.46) DPP4DPP8DPP9FAPDPP7
SCHEMBL146828 0.74 NOS2 (0.46) DPP4DPP8DPP9FAPDPP7
SCHEMBL995604 0.74 NOS2 (0.46) DPP4DPP8DPP9FAPDPP7
SCHEMBL27722474 0.73 GABRP (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101163472-A Vla-4 antagonists MERCK & CO INC (US) 2008-04-16 CN disclosed
EP-1874299-A2 VLA-4 ANTAGONISTS Merck & Co., Inc. (US) 2008-01-09 EP disclosed
WO-2006115918-A2 VLA-4 ANTAGONISTS MERCK & CO., INC. (US) 2006-11-02 WO disclosed