SCHEMBL8019471

SCHEMBL8019471

OCCNCCCCCCNCc1ccc(F)cc1

nearest known ligand 0.82

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 0.82
HDAC3 O15379 1/20 0.60
HDAC1 Q13547 1/20 0.60
HDAC2 Q92769 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
MPO P05164 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.51
ACHE P22303 3/20 0.51
MAOA P21397 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
SCN8A Q9UQD0 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL8328363 0.91 CHRM2 (0.79) CHRM2HDAC3HDAC1HDAC2HDAC8
SCHEMBL8326406 0.91 CHRM2 (0.66) CHRM2HDAC3HDAC1HDAC2HDAC8
SCHEMBL4599034 0.91 CHRM2 (0.64) CHRM2HDAC3HDAC1HDAC2HDAC8
SCHEMBL8328507 0.89 CHRM2 (0.75) CHRM2HDAC3HDAC1HDAC2HDAC8
SCHEMBL4262728 0.87 CHRM2 (0.71) CHRM2HDAC3HDAC1HDAC2HDAC8
SCHEMBL10045185 0.87 CHRM2 (0.92) CHRM2HDAC3HDAC1HDAC2HDAC8
Hydrochloric Acid SCHEMBL9672905 0.85 CHRM2 (0.69) CHRM2HDAC3HDAC1HDAC2HDAC8
SCHEMBL10045186 0.85 CHRM2 (0.88) CHRM2HDAC3HDAC1HDAC2HDAC8
SCHEMBL7986639 0.81 CHRM2 (0.81) CHRM2HDAC3HDAC1HDAC2HDAC8
SCHEMBL8029016 0.81 CHRM2 (0.81) CHRM2HDAC3HDAC1HDAC2HDAC8

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-0797579-B1 ERYTHROMYCIN A 9-0-OXIME DERIVATIVES ENDOWED WITH ANTIBIOTIC ACTIVITY ZAMBON SPA (IT) 2000-03-15 EP disclosed