SCHEMBL6041034

SCHEMBL6041034

N#C[C@@H]1CCCN1C(=O)C(N)C1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 17/20 1.00
DPP8 Q6V1X1 6/20 1.00
DPP7 Q9UHL4 4/20 1.00
DPP9 Q86TI2 3/20 0.97
FAP Q12884 1/20 0.58

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
SCHEMBL14392566 1.00 DPP4 (1.00) DPP4DPP8DPP7DPP9FAP
SCHEMBL6041038 1.00 DPP4 (1.00) DPP4DPP8DPP7DPP9FAP
SCHEMBL18524455 0.92 DPP4 (0.88) DPP4DPP8DPP7DPP9
SCHEMBL6165642 0.92 DPP4 (0.86) DPP4DPP8DPP7DPP9FAP
Trifluoroacetic Acid SCHEMBL5646494 0.91 DPP4 (0.82) DPP4DPP8DPP7DPP9
SCHEMBL6359545 0.88 DPP4 (0.81) DPP4DPP8DPP7DPP9
SCHEMBL8282165 0.87 DPP4 (0.79) DPP4DPP8DPP7DPP9
Hydrochloric Acid SCHEMBL6365008 0.87 DPP4 (0.79) DPP4DPP8DPP7DPP9
SCHEMBL6359541 0.86 DPP4 (0.77) DPP4DPP8DPP7DPP9
SCHEMBL6359544 0.86 DPP4 (0.77) DPP4DPP8DPP7DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060024313-A1 Agents that disrupt dimer formation in DPP-IV family of prolyl dipeptidases NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2006-02-02 US disclosed