SCHEMBL1723023

SCHEMBL1723023

N#C[C@@H]1CCCN1C(=O)[C@H]1CCCN1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 1.00
OPRM1 P35372 1/20 0.61
OPRD1 P41143 1/20 0.61
FAP Q12884 1/20 0.59
DPP8 Q6V1X1 1/20 0.59
DPP9 Q86TI2 1/20 0.59
DPP7 Q9UHL4 1/20 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
SCHEMBL1723024 1.00 DPP4 (1.00) DPP4OPRM1OPRD1FAPDPP8
SCHEMBL1723021 1.00 DPP4 (1.00) DPP4OPRM1OPRD1FAPDPP8
Hydrochloric Acid SCHEMBL2708883 0.98 DPP4 (0.97) DPP4OPRM1OPRD1FAPDPP8
SCHEMBL6167910 0.92 DPP4 (0.85) DPP4OPRM1OPRD1FAPDPP8
SCHEMBL7095293 0.87 DPP4 (0.77) DPP4OPRM1OPRD1FAPDPP8
SCHEMBL7095295 0.87 DPP4 (0.77) DPP4OPRM1OPRD1FAPDPP8
Trifluoroacetic Acid SCHEMBL6185212 0.86 DPP4 (0.75) DPP4OPRM1OPRD1
Trifluoroacetic Acid SCHEMBL6185214 0.86 DPP4 (0.75) DPP4OPRM1OPRD1
SCHEMBL8469129 0.85 DPP4 (0.74) DPP4OPRM1OPRD1
SCHEMBL7333825 0.83 DPP4 (0.70) DPP4OPRM1OPRD1FAPDPP8

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
EP-2343973-A1 NOVEL DIPEPTIDYL PEPTIDASE (DP-IV) COMPOUNDS Cadila Pharmaceuticals Ltd. (IN) 2011-07-20 EP disclosed
WO-2010029422-A1 NOVEL DIPEPTIDYL PEPTIDASE (DP-IV) COMPOUNDS CADILA PHARMACEUTICALS LTD. (IN) 2010-03-18 WO disclosed