SCHEMBL7277645

SCHEMBL7277645

CC(=O)NCCC(Cc1ccccc1)C(=O)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.55
MTNR1B P49286 2/20 0.55
ANPEP P15144 2/20 0.51
RNPEP Q9H4A4 2/20 0.51
DNPEP Q9ULA0 2/20 0.51
CYP1A2 P05177 1/20 0.47
CTRB1 P17538 3/20 0.44
CPA3 P15088 1/20 0.44
LAP3 P28838 2/20 0.44
MME P08473 1/20 0.43
ACE P12821 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL3039933 0.85 MTNR1A (0.55) MTNR1AMTNR1BANPEPRNPEPDNPEP
SCHEMBL3055735 0.85 MTNR1A (0.55) MTNR1AMTNR1BANPEPRNPEPDNPEP
SCHEMBL6692780 0.78 MTNR1A (0.58) MTNR1AMTNR1BANPEPRNPEPDNPEP
SCHEMBL7428008 0.78 MTNR1A (0.58) MTNR1AMTNR1BANPEPRNPEPDNPEP
SCHEMBL3039937 0.77 MTNR1A (0.57) MTNR1AMTNR1BANPEPRNPEPDNPEP
SCHEMBL3055737 0.77 MTNR1A (0.57) MTNR1AMTNR1BANPEPRNPEPDNPEP
SCHEMBL620307 0.75 CYP1A2 (0.64) CYP1A2CPA3
SCHEMBL7277572 0.75 CYP1A2 (0.50) CYP1A2CPA3
SCHEMBL1709763 0.74 MTNR1A (0.64) MTNR1AMTNR1BCYP1A2CTRB1MME
Acetamide SCHEMBL7277641 0.73 CYP1A2 (0.56) ANPEPRNPEPDNPEPCYP1A2CPA3

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 7 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
US-4472380-A CARBOXYALKYL DIPEPTIDE DERIVATIVES MERCK & CO., INC. (US) 1984-09-18 US 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
US-4374829-A Aminoacid derivatives as antihypertensives MERCK & CO., INC. (US) 1983-02-22 US 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
EP-0012401-A1 Carboxyalkyl dipeptide derivatives, process for preparing them and pharmaceutical composition containing them MERCK & CO. INC. (US) 1980-06-25 EP disclosed