SCHEMBL8029016

SCHEMBL8029016

OCCNCCCCCNCc1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 4/20 0.81
MAOA P21397 1/20 0.77
SIGMAR1 Q99720 5/20 0.67
SMN1; SMN2 Q16637 1/20 0.64
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
TDP1 Q9NUW8 1/20 0.59
HDAC3 O15379 2/20 0.58
HDAC1 Q13547 2/20 0.58
HDAC2 Q92769 2/20 0.58
HDAC8 Q9BY41 2/20 0.58
NCOR2 Q9Y618 2/20 0.58

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
SCHEMBL8030662 1.00 CHRM2 (0.81) CHRM2MAOASIGMAR1SMN1; SMN2MEN1
SCHEMBL7986639 1.00 CHRM2 (0.81) CHRM2MAOASIGMAR1SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL8029205 0.98 CHRM2 (0.78) CHRM2MAOASIGMAR1SMN1; SMN2MEN1
SCHEMBL8030792 0.92 CHRM2 (0.81) CHRM2MAOASIGMAR1SMN1; SMN2MEN1
SCHEMBL8034858 0.92 CHRM2 (0.81) CHRM2MAOASIGMAR1SMN1; SMN2MEN1
SCHEMBL7986745 0.92 CHRM2 (0.81) CHRM2MAOASIGMAR1SMN1; SMN2MEN1
SCHEMBL8034873 0.92 CHRM2 (0.81) CHRM2MAOASIGMAR1SMN1; SMN2MEN1
SCHEMBL8029033 0.91 CHRM2 (0.78) CHRM2MAOASIGMAR1SMN1; SMN2MEN1
SCHEMBL8032640 0.91 CHRM2 (0.78) CHRM2MAOASIGMAR1SMN1; SMN2MEN1
SCHEMBL7982481 0.90 MAOA (0.80) CHRM2MAOASIGMAR1MEN1KMT2A

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