SCHEMBL8034862

SCHEMBL8034862

OCCNCCCCCCNCCc1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 0.75
ADRB2 P07550 1/20 0.63
ADORA3 P0DMS8 1/20 0.63
CHRM1 P11229 1/20 0.63
ADRA2B P18089 1/20 0.63
ADRA2C P18825 1/20 0.63
DRD1 P21728 1/20 0.63
SLC6A2 P23975 1/20 0.63
SLC6A4 P31645 1/20 0.63
ADRA1A P35348 1/20 0.63
PTGS2 P35354 1/20 0.63
HRH1 P35367 1/20 0.63
DRD3 P35462 1/20 0.63
OPRK1 P41145 1/20 0.63
SLC6A3 Q01959 1/20 0.63
PDE4D Q08499 1/20 0.63
KCNH2 Q12809 1/20 0.63
HRH3 Q9Y5N1 1/20 0.63
CHRM2 P08172 1/20 0.57

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
SCHEMBL4016136 0.92 SIGMAR1 (0.75) SIGMAR1ADRB2ADORA3CHRM1ADRA2B
SCHEMBL1774154 0.92 SIGMAR1 (0.81) SIGMAR1
SCHEMBL357594 0.92 SIGMAR1 (0.65) SIGMAR1KCNH2
SCHEMBL27456705 0.90 SIGMAR1 (0.77) SIGMAR1
SCHEMBL13073491 0.90 SIGMAR1 (0.74) SIGMAR1ADRB2ADORA3CHRM1ADRA2B
Hydrochloric Acid SCHEMBL6895167 0.90 SIGMAR1 (0.63) SIGMAR1KCNH2
SCHEMBL7272554 0.90 SIGMAR1 (0.91) SIGMAR1ADRB2ADORA3CHRM1ADRA2B
SCHEMBL20689719 0.90 SIGMAR1 (0.91) SIGMAR1ADRB2ADORA3CHRM1ADRA2B
SCHEMBL536909 0.88 SIGMAR1 (0.73) SIGMAR1ADRB2ADORA3CHRM1ADRA2B
SCHEMBL3681105 0.88 SIGMAR1 (0.79) SIGMAR1DRD3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0797579-B1 ERYTHROMYCIN A 9-0-OXIME DERIVATIVES ENDOWED WITH ANTIBIOTIC ACTIVITY ZAMBON SPA (IT) 2000-03-15 EP disclosed
US-5847092-A Erythromycin A 9-0 oxime derivatives endowed with antibiotic activity ZAMBON GROUP S.P.A. (IT) 1998-12-08 US disclosed
EP-0797579-A1 ERYTHROMYCIN A 9-0-OXIME DERIVATIVES ENDOWED WITH ANTIBIOTIC ACTIVITY ZAMBON GROUP S.p.A. (IT) 1997-10-01 EP disclosed
WO-1996018633-A1 ERYTHROMYCIN A 9-0-OXIME DERIVATIVES ENDOWED WITH ANTIBIOTIC ACTIVITY ZAMBON GROUP S.P.A. (IT) 1996-06-20 WO disclosed