SCHEMBL6820644

SCHEMBL6820644

NCC[C@H](N)C(=O)N1CCNCC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 15/20 0.56
DPP4 P27487 3/20 0.45
DPP8 Q6V1X1 4/20 0.44
DPP9 Q86TI2 4/20 0.44
FAP Q12884 1/20 0.43
CA2 P00918 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
CHKA P35790 1/20 0.38
MEN1 O00255 1/20 0.38
PABPC1 P11940 1/20 0.38
KMT2A Q03164 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
CHRNB3 Q05901 1/20 0.37
CHRNA6 Q15825 1/20 0.37

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
SCHEMBL6823435 1.00 DPP7 (0.56) DPP7DPP4DPP8DPP9FAP
SCHEMBL14850861 0.85 CA2 (0.42) DPP7DPP4DPP8DPP9CA2
SCHEMBL22248848 0.85 CA2 (0.42) DPP7DPP4DPP8DPP9CA2
SCHEMBL20386751 0.85 CA2 (0.42) DPP7DPP4DPP8DPP9CA2
SCHEMBL6465790 0.81 CA2 (0.42) DPP7DPP4CA2CA12CA1
SCHEMBL6820919 0.81 DPP7 (0.59) DPP7DPP4DPP8DPP9FAP
SCHEMBL1063047 0.81 DPP7 (0.59) DPP7DPP4DPP8DPP9FAP
SCHEMBL1063045 0.81 DPP7 (0.59) DPP7DPP4DPP8DPP9FAP
SCHEMBL10842135 0.81 CA2 (0.42) DPP7DPP4CA2CA12CA1
SCHEMBL28491960 0.80 ARG1 (0.42) DPP7CA2CA12CA1CA9

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 4 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-2004076433-A1 DIPEPTIDYL PEPTIDASE INHIBITORS AIC (BE) 2004-09-10 WO claimed
WO-2004076433-A1 DIPEPTIDYL PEPTIDASE INHIBITORS AIC (BE) 2004-09-10 WO disclosed
WO-2004076434-A1 DIPEPTIDYL PEPTIDASE INHIBITORS AIC (BE) 2004-09-10 WO disclosed