SCHEMBL6824830

SCHEMBL6824830

N#Cc1ccc(NCCC(N)C(=O)N2CCCCC2)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 8/20 1.00
DPP4 P27487 11/20 0.50
DPP8 Q6V1X1 2/20 0.48
USP30 Q70CQ3 1/20 0.42
CYP2D6 P10635 1/20 0.42
DPP9 Q86TI2 1/20 0.42

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
SCHEMBL6824833 1.00 DPP7 (1.00) DPP7DPP4DPP8USP30CYP2D6
SCHEMBL2860107 0.92 DPP7 (0.84) DPP7DPP4DPP8USP30CYP2D6
SCHEMBL2860101 0.92 DPP7 (0.84) DPP7DPP4DPP8USP30CYP2D6
SCHEMBL5075942 0.82 DPP7 (0.69) DPP7DPP4DPP8DPP9
SCHEMBL5075940 0.82 DPP7 (0.69) DPP7DPP4DPP8DPP9
SCHEMBL5872343 0.79 DPP7 (0.65) DPP7DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL5871963 0.78 DPP7 (0.64) DPP7DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL2849760 0.78 DPP7 (0.64) DPP7DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL2849754 0.78 DPP7 (0.64) DPP7DPP4DPP8DPP9
SCHEMBL5489225 0.77 DPP4 (0.74) DPP7DPP4DPP8

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