SCHEMBL9330666

SCHEMBL9330666

CN1CCC(OC(=O)NCCO)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 3/20 0.47
EPHX1 P07099 1/20 0.45
GAA P10253 1/20 0.42
SCN1A P35498 4/20 0.42
SCN2A Q99250 4/20 0.42
SCN3A Q9NY46 4/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
ALDH1A1 P00352 2/20 0.40
ATM Q13315 1/20 0.40
KCNA3 P22001 1/20 0.40
RAB9A P51151 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL9330357 0.90 GAA (0.47) CHRM3EPHX1GAASCN1ASCN2A
SCHEMBL8484303 0.88 TDP1 (0.46) CHRM3EPHX1GAASCN1ASCN2A
SCHEMBL14420642 0.83 EPHX1 (0.66) CHRM3EPHX1GAASCN1ASCN2A
SCHEMBL9333184 0.82 CHRM3 (0.55) CHRM3EPHX1GAA
SCHEMBL9333182 0.81 SMN1; SMN2 (0.55) EPHX1MEN1KMT2AALDH1A1ATM
SCHEMBL24507877 0.80 EPHX1 (0.56) EPHX1GAAMEN1KMT2AALDH1A1
SCHEMBL9332538 0.80 CYP2D6 (0.40) CHRM3EPHX1GAAMEN1KMT2A
SCHEMBL11751691 0.79 EPHX1 (0.65) EPHX1GAAALDH1A1KCNA3SMN1; SMN2
SCHEMBL9333430 0.78 CHRM3 (0.38) CHRM3EPHX1GAASCN1ASCN2A
SCHEMBL30916849 0.77 CHRM3 (0.49) CHRM3SCN1ASCN2ASCN3AMEN1

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