SCHEMBL9329917

SCHEMBL9329917

O=C(NCCO)O[C@H]1CCCN1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRCP P42785 2/20 0.36
EPHX1 P07099 1/20 0.35
BCHE P06276 2/20 0.32
GAA P10253 1/20 0.31
KCNA3 P22001 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
BLM P54132 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
EPHX2 P34913 1/20 0.30
APOL1 O14791 1/20 0.30

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
SCHEMBL28896874 0.79 EPHX1 (0.39) PRCPEPHX1BCHEGAAALDH1A1
SCHEMBL9330344 0.79 MEN1 (0.36) PRCPEPHX1BCHEMEN1KMT2A
SCHEMBL9330739 0.76 BCHE (0.38) PRCPBCHEGAASMN1; SMN2EPHX2
SCHEMBL27508951 0.75 MEN1 (0.40) PRCPMEN1KMT2ABLMSMN1; SMN2
SCHEMBL24507877 0.74 EPHX1 (0.56) EPHX1BCHEGAAKCNA3CHRNB2
SCHEMBL13372835 0.74 CHRM1 (0.39) PRCPEPHX1BCHEMEN1KMT2A
SCHEMBL27999966 0.74 CHRM1 (0.39) PRCPEPHX1BCHEMEN1KMT2A
SCHEMBL2904411 0.74 CHRM3 (0.44) EPHX1BCHEGAAKCNA3CHRNB2
SCHEMBL11751691 0.73 EPHX1 (0.65) EPHX1GAAKCNA3ALDH1A1SMN1; SMN2
SCHEMBL21582234 0.71 PRCP (0.64) PRCP

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-0366004-B1 Cyclic azaaliphatic compounds with a nitroxy group, process for their preparation and pharmaceutical compositions thereof BOEHRINGER MANNHEIM GMBH (DE) 1994-03-30 EP disclosed
EP-0366004-A1 Cyclic azaaliphatic compounds with a nitroxy group, process for their preparation and pharmaceutical compositions thereof Roche Diagnostics GmbH (DE) 1990-05-02 EP disclosed