SCHEMBL7270073

SCHEMBL7270073

NC1(CC(=O)O)C=c2ccccc2=N1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD11B1 P28845 2/20 0.31
TSHR P16473 1/20 0.31
AKR1B1 P15121 1/20 0.31
CHRM1 P11229 1/20 0.30
ALDH1A1 P00352 1/20 0.30
PAM P19021 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
SCHEMBL8074486 0.77 PKM (0.37) PKMKMT2AHSD11B1TSHRAKR1B1
SCHEMBL1847048 0.77 PKM (0.37) PKMKMT2AHSD11B1TSHRAKR1B1
SCHEMBL31202874 0.75 PKM (0.42) PKMKMT2AHSD11B1TSHR
SCHEMBL9457719 0.73 PKM (0.34) PKMKMT2ATSHR
SCHEMBL6688749 0.69 THRB (0.31) TSHRALDH1A1
SCHEMBL4266501 0.67 MAOA (0.33)
SCHEMBL10783455 0.67 L3MBTL1 (0.32)
SCHEMBL9752038 0.67
SCHEMBL31567994 0.67
SCHEMBL10933793 0.67 APEX1 (0.38) PKMKMT2ATSHRCHRM1ALDH1A1

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