SCHEMBL7698593

SCHEMBL7698593

O=C1CCCc2cc(OCCOc3ccccc3)ccc21

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAOB P27338 17/20 0.78
MAOA P21397 15/20 0.78
HRH3 Q9Y5N1 2/20 0.56

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
SCHEMBL15839887 0.87 MAOB (1.00) MAOBMAOA
SCHEMBL948052 0.85 MAOB (0.93) MAOBMAOA
SCHEMBL226640 0.84 MAOB (1.00) MAOBMAOA
SCHEMBL6825904 0.84 MAOB (0.67) MAOBMAOAHRH3
SCHEMBL17703887 0.84 MAOB (0.67) MAOBMAOAHRH3
SCHEMBL1377016 0.84 MAOB (0.69) MAOBMAOAHRH3
SCHEMBL9222772 0.84 MAOB (0.69) MAOBMAOAHRH3
SCHEMBL6172712 0.84 MAOB (0.67) MAOBMAOAHRH3
SCHEMBL12901556 0.83 MAOA (0.65) MAOBMAOA
SCHEMBL30966017 0.83 MAOA (0.65) MAOBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1100769-B1 AMINOMETHYLCARBOXYLIC ACID DERIVATIVES AKZO NOBEL NV (NL) 2002-12-04 EP disclosed
US-6410592-B1 THERAPY FOR CENTRAL NERVOUS SYSTEM DISORDERS, PSYCHOLOGICAL DISORDERS AKZO NOBEL N.V. (NL) 2002-06-25 US disclosed