SCHEMBL8804351

SCHEMBL8804351

CC(C)(C)c1cc(CCc2cc(F)cc(F)c2NC(=O)[C@@H]2CC[C@H]3CCCCC3N2)cc(C(C)(C)C)c1O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.33
MAOB P27338 3/20 0.32
MAOA P21397 2/20 0.32
ACHE P22303 1/20 0.32
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL8804354 1.00 GAA (0.33) GAAMAOBMAOAACHEKMT2A
SCHEMBL8803662 0.81 MAOB (0.37) GAAMAOBMAOAACHEKMT2A
SCHEMBL8803660 0.81 MAOB (0.37) GAAMAOBMAOAACHEKMT2A
SCHEMBL8804151 0.76 RAB9A (0.42) GAAMAOBMAOAACHEKMT2A
SCHEMBL8804204 0.70 NPC1 (0.43)
SCHEMBL8805340 0.68 FAAH (0.48) MAOBMAOAACHEKMT2AMEN1
SCHEMBL8802784 0.67 MAOA (0.36) MAOBMAOAACHE
SCHEMBL8802800 0.67 MAOA (0.36) MAOBMAOAACHE
SCHEMBL8802792 0.67 MAOA (0.36) MAOBMAOAACHE
SCHEMBL8803219 0.67 MAOB (0.63) MAOBMAOAACHEKMT2A

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-0625507-B1 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO (JP) 1997-07-23 EP disclosed
US-5621010-A ANTIHYPERCHOLESTEROLEMIA AND ANTIATHEROSCLEROSIS NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-04-15 US disclosed
EP-0625507-A2 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO., LTD. (JP) 1994-11-23 EP disclosed