SCHEMBL6823790

SCHEMBL6823790

N#C[C@@H]1CCCCN1C(=O)[C@@H](N)CCNCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 17/20 1.00
DPP7 Q9UHL4 14/20 1.00
DPP8 Q6V1X1 12/20 0.67
DPP9 Q86TI2 5/20 0.66
FAP Q12884 2/20 0.59

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
SCHEMBL6823785 1.00 DPP4 (1.00) DPP4DPP7DPP8DPP9FAP
SCHEMBL6826671 0.90 DPP7 (1.00) DPP4DPP7DPP8DPP9FAP
SCHEMBL6826670 0.90 DPP7 (1.00) DPP4DPP7DPP8DPP9FAP
Hydrochloric Acid SCHEMBL7309557 0.82 DPP4 (0.91) DPP4DPP7DPP8DPP9FAP
SCHEMBL3554780 0.80 DPP4 (1.00) DPP4DPP7DPP8DPP9FAP
SCHEMBL3554784 0.80 DPP4 (1.00) DPP4DPP7DPP8DPP9FAP
SCHEMBL14392573 0.80 DPP4 (1.00) DPP4DPP7DPP8DPP9FAP
SCHEMBL6453066 0.80 DPP4 (1.00) DPP4DPP7DPP8DPP9FAP
SCHEMBL6824504 0.76 DPP7 (1.00) DPP4DPP7DPP8DPP9FAP
SCHEMBL6824505 0.76 DPP7 (1.00) DPP4DPP7DPP8DPP9FAP

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
WO-2004076434-A1 DIPEPTIDYL PEPTIDASE INHIBITORS AIC (BE) 2004-09-10 WO disclosed