SCHEMBL6178144

SCHEMBL6178144

Nc1ncc2c(n1)CCC(NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccc(Cl)c(Cl)c1)C2

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.40
DPP8 Q6V1X1 5/20 0.40
DPP9 Q86TI2 5/20 0.40
DPP7 Q9UHL4 5/20 0.40
FAP Q12884 3/20 0.39
SCN4A P35499 1/20 0.37
KDR P35968 1/20 0.37
HTT P42858 1/20 0.36
OPRM1 P35372 2/20 0.36
OPRD1 P41143 2/20 0.36
OPRK1 P41145 1/20 0.36
AKT1 P31749 1/20 0.36
AKT2 P31751 1/20 0.36
AKT3 Q9Y243 1/20 0.36

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
Hydrochloric Acid SCHEMBL6094305 0.99 DPP4 (0.41) DPP4DPP8DPP9DPP7FAP
SCHEMBL6093274 0.90 XIAP (0.40) SCN4A
SCHEMBL6179226 0.88 DPP4 (0.46) DPP4DPP8DPP9DPP7FAP
SCHEMBL6181089 0.88 SCN5A (0.40) DPP4DPP8DPP9DPP7FAP
Hydrochloric Acid SCHEMBL6095357 0.88 DPP4 (0.46) DPP4DPP8DPP9DPP7FAP
Hydrochloric Acid SCHEMBL7129856 0.88 DPP4 (0.46) DPP4DPP8DPP9DPP7FAP
Hydrochloric Acid SCHEMBL6093146 0.87 SCN5A (0.39) DPP4DPP8DPP9DPP7FAP
SCHEMBL6180898 0.87 SCN4A (0.38) SCN4AKDR
SCHEMBL6179716 0.85 DPP4 (0.41) DPP4DPP8DPP9DPP7FAP
SCHEMBL6184261 0.84 SCN4A (0.56) DPP4DPP8DPP9DPP7FAP

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
EP-1287018-B1 THROMBIN INHIBITORS LEK TOVARNA FARMACEVTSKIH (SI) 2005-01-19 EP claimed