SCHEMBL12201786

SCHEMBL12201786

NC(=O)C1CCCN1CO

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
SPHK1 Q9NYA1 1/20 0.41
SCN3A Q9NY46 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
LMNA P02545 1/20 0.39
GRM2 Q14416 1/20 0.37
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
DPP4 P27487 2/20 0.34
F2 P00734 1/20 0.34
AR P10275 1/20 0.33
SCN9A Q15858 1/20 0.33

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
SCHEMBL3276057 0.84 HTT (0.49) POLBSPHK1SCN3AMAOAMAOB
SCHEMBL5216741 0.84 HTT (0.49) POLBSPHK1SCN3AMAOAMAOB
SCHEMBL3740451 0.84 HTT (0.49) POLBSPHK1SCN3AMAOAMAOB
SCHEMBL943039 0.83 POLB (0.42) POLBSPHK1SCN3AMAOAMAOB
SCHEMBL28094431 0.83 POLB (0.38) POLBLMNAL3MBTL1HTT
SCHEMBL7300215 0.82 POLB (0.41) POLBSPHK1SCN3AMAOAMAOB
SCHEMBL1530965 0.82 SMN1; SMN2 (0.46) POLBSPHK1SCN3AMAOAMAOB
SCHEMBL4491733 0.82 SMN1; SMN2 (0.46) POLBSPHK1SCN3AMAOAMAOB
SCHEMBL1031700 0.82 SMN1; SMN2 (0.46) POLBSPHK1SCN3AMAOAMAOB
SCHEMBL16129826 0.82 POLB (0.41) POLBSPHK1SCN3AMAOAMAOB

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
CN-107158398-A The MetAP2 inhibitor and its treatment method of application of polymeric conjugation 辛德弗雷克斯公司 2017-09-15 CN disclosed
CN-107141410-A The MetAP2 inhibitor and its treatment method of application of polymeric conjugation 辛德弗雷克斯公司 2017-09-08 CN disclosed
EP-2374454-A1 Hemiasterlin derivatives and uses thereof in the treatment of cancer Eisai R&D Management Co., Ltd. (JP) 2011-10-12 EP disclosed