SCHEMBL9716065

SCHEMBL9716065

C[C@H](N)C(=O)OC(=O)[C@@H](N)[C@@H](C)OC(=O)[C@@H](N)CO.N[C@@H](COC(=O)[C@@H](N)CO)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
SLC7A5 Q01650 1/20 0.31
SLC1A5 Q15758 1/20 0.31

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
SCHEMBL9716084 1.00 NOS3 (0.32) NOS3NOS1NOS2SLC7A5SLC1A5
Glutamic Acid SCHEMBL9716070 0.92 GRM8 (0.41)
SCHEMBL5704260 0.89 NOS3 (0.36) NOS3NOS1NOS2SLC7A5SLC1A5
Alanine SCHEMBL9716094 0.86 ALOX15 (0.39)
SCHEMBL1697281 0.85 NOS3 (0.33) NOS3NOS1NOS2SLC7A5SLC1A5
SCHEMBL7730688 0.83 SLC7A5 (0.35) NOS3NOS1NOS2SLC7A5
SCHEMBL15361610 0.82 SLC7A5 (0.38) NOS3NOS1NOS2SLC7A5SLC1A5
SCHEMBL4409197 0.79 SLC7A5 (0.33) SLC7A5
SCHEMBL8679965 0.79 SLC7A5 (0.43) NOS3NOS1NOS2SLC7A5SLC1A5
SCHEMBL1537267 0.77 SLC7A5 (0.41) SLC7A5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0467972-A4 RICKETTSIAL ANTIGENS FOR VACCINATION AND DIAGNOSIS 1992-09-02 EP claimed
EP-0467972-A1 RICKETTSIAL ANTIGENS FOR VACCINATION AND DIAGNOSIS WASHINGTON STATE UNIVERSITY RESEARCH FOUNDATION (US) 1992-01-29 EP claimed
WO-1990012030-A1 RICKETTSIAL ANTIGENS FOR VACCINATION AND DIAGNOSIS WASHINGTON STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 1990-10-18 WO claimed