SCHEMBL9356394

SCHEMBL9356394

CCC1(CC)CCC2(CC1)CC(=O)N(CCCN(C)C)C2=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.46
CHRM3 P20309 2/20 0.46
TERT O14746 1/20 0.37
SCN1A P35498 2/20 0.37
SCN2A Q99250 2/20 0.37
SCN3A Q9NY46 2/20 0.37
STAT3 P40763 1/20 0.34
HIF1A Q16665 1/20 0.34
NR1I2 O75469 1/20 0.33
POLB P06746 1/20 0.33
AHR P35869 1/20 0.33
RAD52 P43351 1/20 0.33
RCE1 Q9Y256 1/20 0.33
HRH1 P35367 2/20 0.33
LMNA P02545 2/20 0.33
CYP2D6 P10635 2/20 0.33
MAPT P10636 2/20 0.33
HTR3E A5X5Y0 1/20 0.33
SLC22A2 O15244 1/20 0.33
SLC22A1 O15245 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
SCHEMBL9359494 0.72 TERT (0.37) TERTSTAT3HIF1AHTR1ADRD2
SCHEMBL10581343 0.71 HTR1A (0.50) CHRM2CHRM3TERTSCN1ASCN2A
SCHEMBL9355929 0.70 CHRM2 (0.43) CHRM2CHRM3SCN1ASCN2ASCN3A
SCHEMBL10426634 0.66 TERT (0.52) CHRM2CHRM3TERTSCN1ASCN2A
SCHEMBL9356154 0.66 CHRM2 (0.44) CHRM2CHRM3ADRA1A
SCHEMBL17147302 0.65 CHRM2 (0.78) CHRM2CHRM3ADRA1ACYP19A1
SCHEMBL14359467 0.65 CHRM2 (0.46) CHRM2CHRM3HIF1AHRH1CYP2D6
SCHEMBL14359787 0.64 CHRM2 (0.45) CHRM2CHRM3HIF1AHRH1CYP2D6
SCHEMBL9437755 0.64 CHRM2 (0.45) CHRM2CHRM3SCN1ASCN2ASCN3A
SCHEMBL14359411 0.64 CHRM2 (0.45) CHRM2CHRM3HIF1AHRH1CYP2D6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0310321-B1 Immunomodulatory azaspiranes SMITHKLINE BEECHAM CORP (US) 1994-11-30 EP disclosed
WO-1989002889-A1 IMMUNOMODULATORY AZASPIRANES SMITHKLINE BECKMAN CORPORATION (US) 1989-04-06 WO disclosed
EP-0310321-A2 Immunomodulatory azaspiranes SMITHKLINE BEECHAM CORPORATION (US) 1989-04-05 EP disclosed