SCHEMBL8414853

SCHEMBL8414853

COC(=O)[C@H](C)N(C(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44
NOS2 P35228 1/20 0.44
AAK1 Q2M2I8 2/20 0.41
PSEN1 P49768 6/20 0.40
PSEN2 P49810 6/20 0.40
APH1B Q8WW43 6/20 0.40
NCSTN Q92542 6/20 0.40
APH1A Q96BI3 6/20 0.40
PSENEN Q9NZ42 6/20 0.40
EGFR P00533 1/20 0.40
GRN P28799 1/20 0.39
SORT1 Q99523 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
MAP1LC3B Q9GZQ8 1/20 0.38
MAP1LC3A Q9H492 1/20 0.38
REN P00797 1/20 0.38

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
SCHEMBL8414459 0.85 NOS3 (0.43) NOS3NOS1NOS2AAK1PSEN1
SCHEMBL7405939 0.82 ALDH1A1 (0.45) AAK1PSEN1PSEN2APH1BNCSTN
SCHEMBL7996806 0.79 SLC6A3 (0.37) NOS3NOS1NOS2SMN1; SMN2
Hydrochloric Acid SCHEMBL7402748 0.78 NOS3 (0.42) NOS3NOS1NOS2AAK1GRN
SCHEMBL18130613 0.76 AAK1 (0.41) AAK1SMN1; SMN2KDM4EALDH1A1GAA
SCHEMBL13664813 0.73 SMN1; SMN2 (0.69) AAK1EGFRCTSLCTSBCTSS
SCHEMBL8645241 0.72 BTN3A1 (0.39) NOS3NOS1NOS2GRNSORT1
SCHEMBL29462332 0.72 CTSL (0.54) AAK1CTSLCTSBCTSSCTSK
SCHEMBL22522212 0.72 CTSL (0.54) AAK1CTSLCTSBCTSSCTSK
SCHEMBL55832 0.71 CTSL (0.60) AAK1PSEN1PSEN2APH1BNCSTN

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-0755405-B1 PHOSPHONYLDIPEPTIDES USEFUL IN THE TREATMENT OF CARDIOVASCULAR DISEASES ZAMBON SPA (IT) 1999-08-25 EP disclosed
US-5760285-A METALLOPEPTIDASE INHIBITORS ZAMBON GROUP S.P.A. (IT) 1998-06-02 US disclosed