SCHEMBL8084427

SCHEMBL8084427

CC(=N)NC(N)CCCCCNC(=N)N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALOX15 P16050 1/20 0.37
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 1/20 0.33
SIRT6 Q8N6T7 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
HIF1A Q16665 1/20 0.32
RRM1 P23921 1/20 0.32
PAOX Q6QHF9 2/20 0.32
NPY4R P50391 3/20 0.31
NPY1R P25929 2/20 0.31
NPY2R P49146 2/20 0.31
NPY5R Q15761 2/20 0.31
DPP7 Q9UHL4 1/20 0.31

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
SCHEMBL24158519 0.79 ALOX15 (0.37) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL434308 0.78 MEN1 (0.48) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL433663 0.77 MEN1 (0.47) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
Acetic Acid SCHEMBL10783904 0.76 MEN1 (0.43) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL5089242 0.76 MEN1 (0.50) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL18601807 0.76 MEN1 (0.50) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL11418945 0.76 MEN1 (0.46) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL22277155 0.76 MEN1 (0.50) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL17525175 0.76 MEN1 (0.46) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL8084631 0.76 GRIA1 (0.34) NPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0861231-B1 L-N6-(1-IMINOETHYL)LYSINE DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASEINHIBITORS SEARLE & CO (US) 2000-11-08 EP claimed
EP-0861231-B1 L-N6-(1-IMINOETHYL)LYSINE DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASEINHIBITORS SEARLE & CO (US) 2000-11-08 EP disclosed