SCHEMBL9561627

SCHEMBL9561627

CSCCC(C(=O)O)N(C(=O)CN)C(=O)C(N)CC(C)C

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.40
SLC1A3 P43003 2/20 0.35
SLC1A2 P43004 2/20 0.35
SLC1A1 P43005 1/20 0.35
FOLH1 Q04609 1/20 0.35
RNPEP Q9H4A4 3/20 0.34
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
BHMT Q93088 1/20 0.31
BHMT2 Q9H2M3 1/20 0.31
ANPEP P15144 2/20 0.30
DNPEP Q9ULA0 1/20 0.30

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
SCHEMBL21049239 0.86 SLC7A5 (0.42) SLC7A5SLC1A3SLC1A2SLC1A1FOLH1
SCHEMBL7646983 0.84 GSR (0.42) SLC7A5SLC1A3SLC1A2SLC1A1FOLH1
SCHEMBL15756564 0.83 RNPEP (0.44) FOLH1RNPEPFNTAFNTBANPEP
SCHEMBL7586373 0.78 SLC7A5 (0.39) SLC7A5SLC1A3SLC1A2SLC1A1FOLH1
SCHEMBL7588933 0.77 SLC7A5 (0.43) SLC7A5SLC1A3SLC1A2SLC1A1FOLH1
SCHEMBL7586237 0.75 RNPEP (0.38) FOLH1RNPEPFNTAFNTBBHMT
SCHEMBL27639943 0.75 GSR (0.46) SLC7A5SLC1A3SLC1A2SLC1A1RNPEP
SCHEMBL1674768 0.75 GSR (0.46) SLC7A5SLC1A3SLC1A2SLC1A1RNPEP
SCHEMBL8053434 0.75 RNPEP (0.40) SLC1A3SLC1A2SLC1A1FOLH1RNPEP
SCHEMBL19974077 0.74 ANPEP (0.51) SLC7A5SLC1A3SLC1A2SLC1A1RNPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0346460-B1 PURINE DERIVATIVES HAVING PHARMACOLOGICAL ACTION CO PHARMA CORPORATION (IT) 1993-03-10 EP disclosed
US-5110798-A Immunomodulators for bone marrow transplants CO PHARMA CORPORATION S.R.L. (IT) 1992-05-05 US disclosed
EP-0346460-A1 PURINE DERIVATIVES HAVING PHARMACOLOGICAL ACTION. CO PHARMA CORP SRL (IT) 1989-12-20 EP disclosed
WO-1989005818-A1 PURINE DERIVATIVES HAVING PHARMACOLOGICAL ACTION CO PHARMA CORPORATION S.R.L. (IT) 1989-06-29 WO disclosed