SCHEMBL6575563

SCHEMBL6575563

COC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC=O

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.44
CTSL P07711 2/20 0.43
CA2 P00918 1/20 0.43
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL6575607 0.94 CTSL (0.43) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL28209573 0.90 LMNA (0.46) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL11326172 0.86 CYP2D6 (0.47) MAPTLMNARAB9A
SCHEMBL28052118 0.85 CA2 (0.54) MAPTMEN1KMT2ALMNACTSL
SCHEMBL9925979 0.85 LMNA (0.50) ALDH1A1MEN1KMT2ALMNACA2
SCHEMBL10086332 0.85 LMNA (0.50) ALDH1A1MEN1KMT2ALMNACA2
SCHEMBL13398403 0.85 MEN1 (0.47) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL27549589 0.85 MEN1 (0.47) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL6891119 0.83 CA2 (0.47) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL11322889 0.83 ALDH1A1 (0.51) ALDH1A1MAPTMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1474405-A2 PROCESS FOR THE PREPARATION OF 4-HETERO-SUBSTITUTED PHENYLALANINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2004-11-10 EP disclosed
WO-2003068725-A2 PROCESS FOR THE PREPARATION OF 4-HETERO-SUBSTITUTED PHENYLALANINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-08-21 WO disclosed
US-4271187-A Substituted phenyl alanine antihypertensive agents MERCK & CO., INC. (US) 1981-06-02 US disclosed
US-4206216-A Antihypertensive N-heterocyclicalanines MERCK & CO., INC. (US) 1980-06-03 US disclosed
US-4170654-A Antihypertensive compositions containing N-heterocyclicalanines and α- MERCK & CO., INC. (US) 1979-10-09 US disclosed
US-4160835-A Antihypertensive compositions containing an arylsubstituted alanine and a phenyl hydrazinopropionic acid MERCK & CO., INC. (US) 1979-07-10 US disclosed
US-4156734-A Antihypertensive compositions containing an aryl-substituted alanine azo and an arylhydrazino-propionic acid MERCK & CO., INC. (US) 1979-05-29 US disclosed
US-4153715-A Indolyl amino acids useful as antihypertensive agents MERCK & CO., INC. (US) 1979-05-08 US disclosed
US-4065572-A Amino acids and esters thereof useful as antihypertensive agents MERCK & CO., INC. (US) 1977-12-27 US disclosed