SCHEMBL9329933

SCHEMBL9329933

CN1CCC(OC(=O)NC[C@H]2CC[C@H](O[N+](=O)[O-])CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UGT8 Q16880 2/20 0.36
CHRM3 P20309 2/20 0.36
BCHE P06276 3/20 0.36
EPHX1 P07099 1/20 0.35
TPSAB1 Q15661 1/20 0.34
TPSD1 Q9BZJ3 1/20 0.34
TPSG1 Q9NRR2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SCN1A P35498 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN3A Q9NY46 1/20 0.34
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GSK3B P49841 1/20 0.33
RAB9A P51151 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL9333289 1.00 UGT8 (0.36) UGT8CHRM3BCHEEPHX1TPSAB1
SCHEMBL9346184 0.84 EPHX1 (0.41) EPHX1KMT2AGSK3BMAPTSMN1; SMN2
SCHEMBL9329950 0.81 EPHX1 (0.43) CHRM3BCHEEPHX1MEN1KMT2A
SCHEMBL9333191 0.81 EPHX1 (0.43) CHRM3BCHEEPHX1MEN1KMT2A
SCHEMBL9019503 0.78 TDP1 (0.40) BCHEEPHX1ALDH1A1SMN1; SMN2
SCHEMBL4889799 0.76 GSR (0.39) CHRM3MEN1KMT2ASCN1ASCN2A
SCHEMBL9333430 0.75 CHRM3 (0.38) CHRM3BCHEEPHX1MEN1KMT2A
SCHEMBL9795326 0.74 TDP1 (0.61) BCHEEPHX1TPSAB1TPSD1TPSG1
SCHEMBL9348981 0.73 LMNA (0.43) EPHX1KMT2AALDH1A1
SCHEMBL9330460 0.73 GAA (0.40) CHRM3BCHEEPHX1MEN1KMT2A

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 1 patent. 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