SCHEMBL8975661

SCHEMBL8975661

CC(C)(C)OC(=O)[C@H](N)CCCNC(=N)N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
NPY4R P50391 5/20 0.38
NPY1R P25929 3/20 0.38
DPP7 Q9UHL4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LTA4H P09960 1/20 0.36
NPY2R P49146 2/20 0.35
NPY5R Q15761 2/20 0.35
NOS1 P29475 2/20 0.35
NOS3 P29474 1/20 0.35
NOS2 P35228 1/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
OTC P00480 1/20 0.34

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
SCHEMBL604856 1.00 MEN1 (0.45) MEN1GAAKMT2AMAOAMAOB
SCHEMBL604855 1.00 MEN1 (0.45) MEN1GAAKMT2AMAOAMAOB
Hydrochloric Acid SCHEMBL27482850 0.98 MEN1 (0.44) MEN1GAAKMT2AMAOAMAOB
Hydrochloric Acid SCHEMBL8376792 0.98 MEN1 (0.44) MEN1GAAKMT2AMAOAMAOB
Hydrochloric Acid SCHEMBL29398231 0.98 MEN1 (0.44) MEN1GAAKMT2AMAOAMAOB
SCHEMBL5847744 0.89 MEN1 (0.41) MEN1GAAKMT2AMAOAMAOB
SCHEMBL20468063 0.88 MEN1 (0.37) MEN1GAAKMT2AMAOAMAOB
SCHEMBL14414714 0.88 MEN1 (0.45) MEN1GAAKMT2AMAOAMAOB
SCHEMBL14090836 0.88 MEN1 (0.45) MEN1GAAKMT2AMAOAMAOB
SCHEMBL30860176 0.88 MEN1 (0.47) MEN1GAAKMT2AMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0350221-B1 Dermorphin analogs, their methods of preparation, pharmaceutical compositions, and methods of therapeutic treatment using the same ASTRA AB (SE) 1996-04-17 EP disclosed
US-5312899-A Dermorphin analogs BIOCHEM PHARMA, INC. (CA) 1994-05-17 US disclosed
EP-0350221-A2 Dermorphin analogs, their methods of preparation, pharmaceutical compositions, and methods of therapeutic treatment using the same Astra Aktiebolag (SE) 1990-01-10 EP disclosed