SCHEMBL1817609

SCHEMBL1817609

CC[C@H](C)[C@@](N)(CCN1CCOCC1)C(N)=O.O=S(=O)(O)OS(=O)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ OPRM1 P35372 1/20 0.36
▸ OPRD1 P41143 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ ARG1 P05089 1/20 0.36
▸ ARG2 P78540 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ TSHR P16473 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ GLA P06280 1/20 0.32

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
SCHEMBL1819014 0.92 MEN1 (0.42) MEN1KMT2AOPRM1OPRD1SMN1; SMN2
SCHEMBL1820560 0.90 MEN1 (0.44) MEN1KMT2AOPRM1OPRD1SMN1; SMN2
SCHEMBL1818746 0.90 MEN1 (0.44) MEN1KMT2AOPRM1OPRD1SMN1; SMN2
SCHEMBL2009700 0.90 MEN1 (0.44) MEN1KMT2AOPRM1OPRD1SMN1; SMN2
SCHEMBL1819502 0.71 TSHR (0.49) KMT2ASMN1; SMN2ALDH1A1L3MBTL1TSHR
SCHEMBL1818765 0.69 TSHR (0.50) MEN1KMT2ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL1815850 0.69 TSHR (0.50) MEN1KMT2ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL8190977 0.69 ARG1 (0.51) MEN1KMT2AOPRM1OPRD1SMN1; SMN2
SCHEMBL8843134 0.68 SMN1; SMN2 (0.56) MEN1KMT2AOPRM1OPRD1SMN1; SMN2
SCHEMBL1824226 0.67 TSHR (0.50) MEN1KMT2ASMN1; SMN2ALDH1A1L3MBTL1

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-2498782-A1 CRYSTALLINE FORMS OF NEUROTROPHIN MIMETIC COMPOUNDS AND THEIR SALTS Pharmatrophix Inc. (US) 2012-09-19 — — EP disclosed
WO-2011060262-A1 CRYSTALLINE FORMS OF NEUROTROPHIN MIMETIC COMPOUNDS AND THEIR SALTS PHARMATROPHIX, INC. (US) 2011-05-19 — — WO disclosed
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