SCHEMBL6180898

SCHEMBL6180898

CC(C)(C)N(C(=O)O)[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)N1CCC[C@H]1C(=O)NC1CCc2nc(N)ncc2C1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 1/20 0.38
TACR1 P25103 4/20 0.36
MAPK1 P28482 4/20 0.36
XIAP P98170 2/20 0.35
CASP1 P29466 1/20 0.35
KDR P35968 2/20 0.34
PDGFRB P09619 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33

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
SCHEMBL6178144 0.87 DPP4 (0.40) SCN4AKDR
Hydrochloric Acid SCHEMBL6094305 0.86 DPP4 (0.41) SCN4AKDR
SCHEMBL6178779 0.86 TACR1 (0.38) SCN4ATACR1XIAPCASP1TAAR1
SCHEMBL6093274 0.86 XIAP (0.40) SCN4ATACR1XIAPTAAR1
SCHEMBL6184253 0.80 SCN4A (0.41) SCN4AMAPK1XIAPKDRPDGFRB
SCHEMBL6179226 0.77 DPP4 (0.46)
Hydrochloric Acid SCHEMBL6095357 0.76 DPP4 (0.46)
Hydrochloric Acid SCHEMBL7129856 0.76 DPP4 (0.46)
SCHEMBL6180217 0.76 SCN5A (0.38) TACR1XIAPTAAR1
SCHEMBL6181089 0.76 SCN5A (0.40) KDRPDGFRB

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