SCHEMBL7766573

SCHEMBL7766573

NCC1CCNC(C(N)=O)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.45
GRIN3B O60391 2/20 0.45
GRIN1 Q05586 2/20 0.45
GRIN2A Q12879 2/20 0.45
GRIN2B Q13224 2/20 0.45
GRIN2C Q14957 2/20 0.45
GRIN3A Q8TCU5 2/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
THRB P10828 1/20 0.45
ALOX15 P16050 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
GRIA1 P42261 1/20 0.45
GRIA2 P42262 1/20 0.45
GRIA3 P42263 1/20 0.45
GRIA4 P48058 1/20 0.45
ARG1 P05089 1/20 0.44
NOS3 P29474 1/20 0.39

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
SCHEMBL9811629 0.83 GRIN2D (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL14544406 0.80 GRIN2D (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL16611675 0.80 GRIN2D (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL16325359 0.80 GRIN2D (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30887307 0.80 ARG1 (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3132033 0.80 ARG1 (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19234228 0.80 ARG1 (0.41) CYP1A2ALOX15CYP2C19ARG1NOS3
SCHEMBL5058512 0.79 MEN1 (0.73) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18892648 0.79 ARG1 (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13997125 0.79 MEN1 (0.73) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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
EP-0686698-B1 Biotechnological process for the production of cyclic S-alpha-aminocarboxylic acids and R-alpha-aminocarboxylic acid amides LONZA AG (CH) 2001-03-14 EP disclosed
US-5766893-A ENZYME CULTURE LONZA AG (CH) 1998-06-16 US disclosed
US-5622846-A RACEMIC MIXTURES OR OPTICALLY ACTIVE ISOMERS; MICROORGANISM WHICH USE THESE COMPOUNDS LONZA AG (CH) 1997-04-22 US disclosed
EP-0686698-A2 Biotechnological process for the production of cyclic S-alpha-aminocarboxylic acids and R-alpha-aminocarboxylic acid amides LONZA AG (CH) 1995-12-13 EP disclosed