SCHEMBL8414459

SCHEMBL8414459

COC(=O)[C@H](C)N(C(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
CTSS P25774 3/20 0.43
CTSK P43235 3/20 0.43
CTSL P07711 2/20 0.41
CTSB P07858 1/20 0.41
PSEN1 P49768 6/20 0.41
PSEN2 P49810 6/20 0.41
APH1B Q8WW43 6/20 0.41
NCSTN Q92542 6/20 0.41
APH1A Q96BI3 6/20 0.41
PSENEN Q9NZ42 6/20 0.41
AAK1 Q2M2I8 2/20 0.41
REN P00797 1/20 0.38
MAP1LC3B Q9GZQ8 1/20 0.38
MAP1LC3A Q9H492 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
SCHEMBL7405939 0.87 ALDH1A1 (0.45) CTSSCTSKCTSLCTSBPSEN1
SCHEMBL8414853 0.85 NOS3 (0.44) NOS3NOS1NOS2CTSSCTSK
SCHEMBL8909415 0.78 KMT2A (0.40)
Hydrochloric Acid SCHEMBL7398161 0.76 NOS3 (0.41) NOS3NOS1NOS2CTSLAAK1
SCHEMBL24754751 0.75 CTSS (0.62) NOS3NOS1NOS2CTSSCTSK
SCHEMBL29184663 0.75 CTSS (0.62) NOS3NOS1NOS2CTSSCTSK
SCHEMBL24754846 0.75 CTSS (0.62) NOS3NOS1NOS2CTSSCTSK
SCHEMBL22312263 0.74 CTSS (0.43) CTSSCTSKAAK1
SCHEMBL27844715 0.74 CTSS (0.47) NOS3NOS1NOS2CTSSCTSK
SCHEMBL7403327 0.74 CTSK (0.58) CTSSCTSKCTSLCTSB

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