SCHEMBL9412960

SCHEMBL9412960

COc1cccc(CN2C3COCC2CC(NC(=O)c2n[nH]c4ccccc24)C3)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.59
FLT3 P36888 2/20 0.52
HTR1A P08908 1/20 0.49
DRD2 P14416 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
HRH1 P35367 1/20 0.49
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
TYK2 P29597 1/20 0.47
JAK3 P52333 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
GSK3B P49841 1/20 0.46
ROCK2 O75116 1/20 0.46
DRD4 P21917 1/20 0.45
CDK5 Q00535 1/20 0.45
CDK5R1 Q15078 1/20 0.45
PRKACA P17612 1/20 0.45
PRKACG P22612 1/20 0.45

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
SCHEMBL9412956 1.00 SMN1; SMN2 (0.59) SMN1; SMN2FLT3HTR1ADRD2HTR2A
SCHEMBL9413040 0.91 CDK2 (0.52) SMN1; SMN2FLT3HTR1AHTR2AHTR2C
SCHEMBL9413045 0.91 CDK2 (0.52) SMN1; SMN2FLT3HTR1AHTR2AHTR2C
SCHEMBL8714859 0.87 NPC1 (0.56) SMN1; SMN2FLT3NPC1RAB9ASMYD3
SCHEMBL8714863 0.87 NPC1 (0.56) SMN1; SMN2FLT3NPC1RAB9ASMYD3
SCHEMBL9413011 0.87 MEN1 (0.52) SMN1; SMN2HTR1ADRD2HTR2ANPC1
SCHEMBL9413006 0.87 MEN1 (0.52) SMN1; SMN2HTR1ADRD2HTR2ANPC1
SCHEMBL9412903 0.83 KDM4E (0.59) SMN1; SMN2HTR1ADRD2HTR2ANPC1
SCHEMBL9412888 0.83 RAB9A (0.49) SMN1; SMN2FLT3HRH1NPC1RAB9A
SCHEMBL9412887 0.83 RAB9A (0.49) SMN1; SMN2FLT3HRH1NPC1RAB9A

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-0623621-A1 Oxazabicyclo derivatives and their use as 5-HT4 receptor agonists NISSHIN FLOUR MILLING CO., LTD. (JP) 1994-11-09 EP disclosed