SCHEMBL7277920

SCHEMBL7277920

N=C(N)NCCC[C@@](N)(Br)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.38
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
ALB P02768 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ESR1 P03372 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
SCHEMBL263015 0.81 ALOX15 (0.40) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL27751170 0.81 ALOX15 (0.40) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL161929 0.79 ARG1 (0.47) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL28637035 0.79 ALOX15 (0.38) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL202490 0.79 ARG1 (0.47) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL6431682 0.79 ARG1 (0.47) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL23094075 0.77 ODC1 (0.44) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL23094069 0.77 ODC1 (0.44) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL11674300 0.77 ARG1 (0.46) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL11674295 0.77 ARG1 (0.46) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0048159-A2 Novel carboxyalkyl peptides and thioethers and ethers of peptides as antihypertensive agents UNIVERSITY OF MIAMI (US) 1982-03-24 EP disclosed