SCHEMBL6179716

SCHEMBL6179716

N[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)N1CCC[C@H]1C(=O)NC1CCc2n[nH]cc2C1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.41
DPP8 Q6V1X1 8/20 0.41
DPP9 Q86TI2 8/20 0.41
DPP7 Q9UHL4 8/20 0.41
FAP Q12884 6/20 0.40
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
HTT P42858 1/20 0.37
SCN4A P35499 1/20 0.36
XIAP P98170 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 SCHEMBL6196562 0.99 DPP4 (0.42) DPP4DPP8DPP9DPP7FAP
Hydrochloric Acid SCHEMBL6094296 0.99 DPP4 (0.42) DPP4DPP8DPP9DPP7FAP
SCHEMBL6178208 0.89 XIAP (0.43) XIAP
SCHEMBL6093203 0.89 XIAP (0.43) XIAP
SCHEMBL6181640 0.88 F2 (0.39) DPP4DPP8DPP9DPP7FAP
Hydrochloric Acid SCHEMBL6094489 0.87 DPP4 (0.47) DPP4DPP8DPP9DPP7FAP
Hydrochloric Acid SCHEMBL6093286 0.87 DPP4 (0.40) DPP4DPP8DPP9DPP7FAP
SCHEMBL6178779 0.85 TACR1 (0.38) HTTSCN4AXIAP
SCHEMBL6178144 0.85 DPP4 (0.40) DPP4DPP8DPP9DPP7FAP
Hydrochloric Acid SCHEMBL6094305 0.84 DPP4 (0.41) 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