SCHEMBL8329013

SCHEMBL8329013

N#CC(C#N)C(NCc1ccccc1)N1CCN(Cc2ccc(F)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.51
BCHE P06276 2/20 0.51
BACE1 P56817 2/20 0.51
GAA P10253 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ATM Q13315 1/20 0.49
POLB P06746 1/20 0.47
RAB9A P51151 1/20 0.47
KDM4E B2RXH2 1/20 0.45
HTT P42858 1/20 0.45
FAAH O00519 1/20 0.44
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43

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
SCHEMBL8329776 0.81 ACHE (0.46) ACHEMEN1KMT2AATMPOLB
SCHEMBL8725812 0.76 SIGMAR1 (0.75) ACHEBCHEBACE1GAAL3MBTL1
SCHEMBL8709040 0.75 CTSS (0.43) ACHEBCHEBACE1GAAMEN1
SCHEMBL16226852 0.71 MEN1 (0.86) ACHEGAAMEN1KMT2AATM
SCHEMBL16226255 0.71 MEN1 (0.77) ACHEGAAMEN1KMT2AATM
SCHEMBL7496851 0.71 DRD4 (0.57) ACHEBCHEBACE1
SCHEMBL8329011 0.71 PRKAA2 (0.53) ACHEBCHEBACE1GAAL3MBTL1
SCHEMBL16226905 0.70 KMT2A (0.64) MEN1KMT2AATMPOLBRAB9A
SCHEMBL16225870 0.70 KMT2A (0.64) MEN1KMT2AATMPOLBRAB9A
SCHEMBL16226419 0.70 KMT2A (0.64) MEN1KMT2AATMPOLBRAB9A

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 5 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-5753654-A GASTROINTESTINAL DISORDERS NISSHIN FLOUR MILLING CO., LTD. (JP) 1998-05-19 US disclosed
US-5736550-A TREATMENT OF GASTROINTESTINAL TRACT DISORDERS NISSHIN FLOUR MILLING CO., LTD. (JP) 1998-04-07 US disclosed
EP-0760362-A1 NOVEL DIAMINOMETHYLIDENE DERIVATIVE NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-03-05 EP disclosed
EP-0760368-A1 NOVEL PYRIMIDINE DERIVATIVE NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-03-05 EP disclosed