SCHEMBL8128236

SCHEMBL8128236

O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc(Nc2ncnc3c2CCCC3)cc1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACHE P22303 15/20 0.58
BCHE P06276 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
SCHEMBL8128731 0.98 ACHE (0.58) ACHEBCHE
Hydrochloric Acid SCHEMBL8130199 0.97 ACHE (0.58) ACHEBCHE
SCHEMBL8118767 0.93 ACHE (0.51) ACHEBCHE
SCHEMBL8134936 0.92 ACHE (0.51) ACHEBCHE
SCHEMBL8127604 0.90 BCHE (0.44) ACHEBCHE
SCHEMBL8923379 0.89 ACHE (0.53) ACHEBCHE
Hydrochloric Acid SCHEMBL8124367 0.88 ACHE (0.53) ACHEBCHE
SCHEMBL8133724 0.87 ACHE (0.43) ACHEBCHE
SCHEMBL8133219 0.85 ACHE (0.57) ACHEBCHE
SCHEMBL8922063 0.85 ACHE (0.41) ACHEBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0664291-B1 PYRIMIDINE COMPOUND UBE INDUSTRIES (JP) 2000-07-19 EP claimed
US-5610303-A MONOAMIDE OXIDASE INHIBITORS UBE INDUSTRIES, LTD. (JP) 1997-03-11 US claimed
EP-0664291-A1 PYRIMIDINE COMPOUND UBE INDUSTRIES, LTD. (JP) 1995-07-26 EP claimed
EP-0664291-B1 PYRIMIDINE COMPOUND UBE INDUSTRIES (JP) 2000-07-19 EP disclosed
US-5610303-A MONOAMIDE OXIDASE INHIBITORS UBE INDUSTRIES, LTD. (JP) 1997-03-11 US disclosed
EP-0664291-A1 PYRIMIDINE COMPOUND UBE INDUSTRIES, LTD. (JP) 1995-07-26 EP disclosed