SCHEMBL8127604

SCHEMBL8127604

O=C(CC1CCN(Cc2ccccc2)CC1)c1ccc(Nc2ncnc3c2CCC3)cc1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.44
ACHE P22303 2/20 0.44

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 0.91 ACHE (0.58) BCHEACHE
Hydrochloric Acid SCHEMBL8130199 0.91 ACHE (0.58) BCHEACHE
SCHEMBL8118767 0.90 ACHE (0.51) BCHEACHE
SCHEMBL8128236 0.90 ACHE (0.58) BCHEACHE
SCHEMBL8127609 0.85 MEN1 (0.41) ACHE
SCHEMBL8127606 0.85 MEN1 (0.41) ACHE
SCHEMBL8118507 0.85 BCHE (0.44) BCHEACHE
SCHEMBL8126483 0.83 HDAC8 (0.48) ACHE
SCHEMBL8126478 0.83 HDAC8 (0.48) ACHE
SCHEMBL8119157 0.83 CYP11B1 (0.40)

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