SCHEMBL28364983

SCHEMBL28364983

CC(C)(CNC(=O)C1CCOC1)[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HTR1A P08908 2/20 0.35
DRD2 P14416 2/20 0.35
DRD4 P21917 2/20 0.35
GLS O94925 1/20 0.34
ACKR3 P25106 1/20 0.34
KCNA3 P22001 1/20 0.32
ACACB O00763 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
ITGB1 P05556 1/20 0.30
ITGA4 P13612 1/20 0.30
PIP5K1C O60331 1/20 0.30
PIK3CA P42336 1/20 0.30
P2RX7 Q99572 1/20 0.30
KMT2A Q03164 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
SCHEMBL28361513 0.79 SMN1; SMN2 (0.45) SMN1; SMN2HSD17B10HTR1ADRD2DRD4
SCHEMBL25660845 0.75 HTR1A (0.41) SMN1; SMN2HSD17B10HTR1ADRD2DRD4
SCHEMBL13702331 0.73 HTR1A (0.41) SMN1; SMN2HSD17B10HTR1ADRD2DRD4
SCHEMBL3663509 0.71 GLS (0.41) HTR1ADRD2DRD4GLSACKR3
SCHEMBL20928257 0.70 CHRNB2 (0.47) SMN1; SMN2HSD17B10HTR1ADRD2DRD4
SCHEMBL47362 0.70 GLS (0.40) SMN1; SMN2HSD17B10HTR1ADRD2DRD4
SCHEMBL13701776 0.70 ACKR3 (0.50) SMN1; SMN2GLSACKR3HDAC3HDAC1
SCHEMBL28361476 0.69 ADRB2 (0.43) SMN1; SMN2HSD17B10HTR1ADRD2DRD4
SCHEMBL24853619 0.68 SMN1; SMN2 (0.59) SMN1; SMN2HSD17B10HTR1ADRD2DRD4
SCHEMBL29306574 0.68 NAAA (0.53) HTR1ADRD2DRD4

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
CN-108101870-B Preparation method of active ingredient for selectively treating glaucoma and related salt thereof 盐城师范学院 2020-03-06 CN disclosed
CN-108101870-B Preparation method of active ingredient for selectively treating glaucoma and related salt thereof 盐城师范学院 2020-03-06 CN disclosed