SCHEMBL8328507

SCHEMBL8328507

OCCCCNCc1ccc(F)cc1

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.75
HDAC3 O15379 1/20 0.59
HDAC1 Q13547 1/20 0.59
HDAC2 Q92769 1/20 0.59
HDAC8 Q9BY41 1/20 0.59
MPO P05164 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
LMNA P02545 2/20 0.51
ACHE P22303 3/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
SCN8A Q9UQD0 1/20 0.50
MAOA P21397 1/20 0.48
FOLH1 Q04609 1/20 0.48

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 0.98 CHRM2 (0.79) CHRM2HDAC3HDAC1HDAC2HDAC8
SCHEMBL4262728 0.94 CHRM2 (0.71) CHRM2HDAC3HDAC1HDAC2HDAC8
Hydrochloric Acid SCHEMBL9672905 0.92 CHRM2 (0.69) CHRM2HDAC3HDAC1HDAC2HDAC8
SCHEMBL8019471 0.89 CHRM2 (0.82) CHRM2HDAC3HDAC1HDAC2HDAC8
Hydrochloric Acid SCHEMBL3671076 0.88 LMNA (0.61) CHRM2MEN1KMT2ALMNAKDM4E
SCHEMBL4599034 0.86 CHRM2 (0.64) CHRM2HDAC3HDAC1HDAC2HDAC8
SCHEMBL10045185 0.86 CHRM2 (0.92) CHRM2HDAC3HDAC1HDAC2HDAC8
SCHEMBL10045186 0.84 CHRM2 (0.88) CHRM2HDAC3HDAC1HDAC2HDAC8
SCHEMBL8326406 0.82 CHRM2 (0.66) CHRM2HDAC3HDAC1HDAC2HDAC8
Hydrochloric Acid SCHEMBL3668846 0.81 MEN1 (0.65) CHRM2MEN1KMT2ALMNAKDM4E

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-0760368-B1 PYRIMIDINE DERIVATIVES NISSHIN FLOUR MILLING CO (JP) 1999-07-28 EP disclosed
US-5736550-A TREATMENT OF GASTROINTESTINAL TRACT DISORDERS NISSHIN FLOUR MILLING CO., LTD. (JP) 1998-04-07 US disclosed
EP-0760368-A1 NOVEL PYRIMIDINE DERIVATIVE NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-03-05 EP disclosed