SCHEMBL2772183

SCHEMBL2772183

O=C(O)C1CC(=O)N(CI)C1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.62
SMN1; SMN2 Q16637 2/20 0.54
HTT P42858 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.51
MAPT P10636 2/20 0.50
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.47
GAA P10253 1/20 0.46
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
RECQL P46063 1/20 0.42
KMT2A Q03164 1/20 0.41

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
SCHEMBL5499784 0.84 POLB (0.66) POLBSMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL1538426 0.84 POLB (0.66) POLBSMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL7951946 0.84 POLB (0.66) POLBSMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL15084846 0.81 POLB (0.62) POLBSMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL8293964 0.81 POLB (0.67) POLBSMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL10922468 0.79 POLB (0.60) POLBSMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL31537602 0.79 POLB (0.60) POLBSMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL31537583 0.79 POLB (0.60) POLBSMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL15082395 0.79 POLB (0.60) POLBSMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL7058049 0.79 BRD4 (0.60) POLBSMN1; SMN2L3MBTL1ALDH1A1HPGD

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
US-20220233481-A1 METHODS OF REDUCING SYMPTOMS OF OPIOID WITHDRAWAL SYNDROME AND RISK OF RELAPSE TO DRUG SEEKING UTI LIMITED PARTNERSHIP (CA) 2022-07-28 US disclosed
US-11298569-B2 Methods and compositions for modulating opioid withdrawal symptoms UTI LIMITED PARTNERSHIP (CA) 2022-04-12 US disclosed
US-20190351008-A1 METHODS AND COMPOSITIONS FOR MODULATING OPIOID WITHDRAWAL SYMPTOMS UTI LIMITED PARTNERSHIP (CA) 2019-11-21 US disclosed
EP-1581532-B1 PYRAZOLO¬3,4-B PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LTD (GB) 2010-04-28 EP disclosed