SCHEMBL7270358

SCHEMBL7270358

N[C@H](CCSCC1CCCC1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BHMT Q93088 8/20 0.50
BHMT2 Q9H2M3 1/20 0.49
NOS2 P35228 2/20 0.45
NOS3 P29474 1/20 0.45
NOS1 P29475 1/20 0.45

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
SCHEMBL7270350 1.00 BHMT (0.50) BHMTBHMT2NOS2NOS3NOS1
SCHEMBL10532280 0.98 BHMT (0.49) BHMTBHMT2NOS2NOS3NOS1
SCHEMBL1031684 0.77 BHMT (0.76) BHMTBHMT2NOS2NOS3NOS1
SCHEMBL21851894 0.77 BHMT (0.76) BHMTBHMT2NOS2NOS3NOS1
SCHEMBL27791649 0.77 BHMT (0.76) BHMTBHMT2NOS2NOS3NOS1
SCHEMBL1031686 0.77 BHMT (0.76) BHMTBHMT2NOS2NOS3NOS1
SCHEMBL18774953 0.76 METAP1 (0.52)
SCHEMBL4714160 0.76 METAP1 (0.52)
Selenium SCHEMBL30467190 0.75 BHMT (0.73) BHMTBHMT2NOS2NOS3NOS1
SCHEMBL19800787 0.75 BHMT (0.80) BHMTBHMT2NOS2NOS3NOS1

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
US-4766110-A INHIBITS ANGIOTENSIN CONVERTING ENZYME, HYPOTENSIVE AGENTS RYAN JAMES W (US) 1988-08-23 US disclosed
EP-0073143-B1 NOVEL COMPLEX AMIDO AND IMIDO DERIVATIVES OF CARBOXYALKYL PEPTIDES AND THIOETHERS AND ETHERS OF PEPTIDES Ryan, James Walter (US) 1985-11-21 EP disclosed
EP-0073143-A2 Novel complex amido and imido derivatives of carboxyalkyl peptides and thioethers and ethers of peptides Ryan, James Walter (US) 1983-03-02 EP disclosed
EP-0048159-A2 Novel carboxyalkyl peptides and thioethers and ethers of peptides as antihypertensive agents UNIVERSITY OF MIAMI (US) 1982-03-24 EP disclosed