SCHEMBL6181640

SCHEMBL6181640

N[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)N1CCC[C@H]1C(=O)NCC1CCc2n[nH]cc2C1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.39
SCN5A Q14524 1/20 0.39
SCN3A Q9NY46 1/20 0.39
DPP4 P27487 3/20 0.39
DPP8 Q6V1X1 2/20 0.39
DPP9 Q86TI2 2/20 0.39
DPP7 Q9UHL4 2/20 0.39
AKT1 P31749 1/20 0.37
AKT2 P31751 1/20 0.37
AKT3 Q9Y243 1/20 0.37
FAP Q12884 1/20 0.37
HTT P42858 1/20 0.36
F12 P00748 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 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 SCHEMBL6093286 0.99 DPP4 (0.40) F2SCN5ASCN3ADPP4DPP8
SCHEMBL6093180 0.89 TAAR1 (0.41) F2SCN5ASCN3A
SCHEMBL6179716 0.88 DPP4 (0.41) DPP4DPP8DPP9DPP7FAP
Hydrochloric Acid SCHEMBL6094296 0.87 DPP4 (0.42) DPP4DPP8DPP9DPP7FAP
Hydrochloric Acid SCHEMBL6196562 0.87 DPP4 (0.42) DPP4DPP8DPP9DPP7FAP
SCHEMBL6180217 0.85 SCN5A (0.38) F2SCN5ASCN3A
SCHEMBL6181089 0.85 SCN5A (0.40) F2SCN5ASCN3ADPP4DPP8
Hydrochloric Acid SCHEMBL6093146 0.84 SCN5A (0.39) F2SCN5ASCN3ADPP4DPP8
SCHEMBL6179483 0.79 F2 (0.47) F2SCN5ASCN3A
Hydrochloric Acid SCHEMBL6093262 0.78 F2 (0.47) F2SCN5ASCN3A

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