SCHEMBL8804108

SCHEMBL8804108

CC(C)N1CCC(NC(=O)Nc2ccccc2CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
MAOB P27338 6/20 0.50
MAOA P21397 3/20 0.50
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.44
CCR3 P51677 3/20 0.43
KDM4E B2RXH2 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
P2RY1 P47900 2/20 0.41
EPHX2 P34913 3/20 0.40
ACHE P22303 1/20 0.40
F10 P00742 1/20 0.40
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL8802406 0.90 MAOB (0.52) ALDH1A1MAOBMAOAKMT2ACCR3
SCHEMBL8805098 0.89 MAOB (0.52) MAOBMAOAKMT2ACCR3KDM4E
SCHEMBL8803881 0.88 MAOB (0.55) ALDH1A1MAOBMAOAKMT2ACCR3
SCHEMBL8806034 0.87 KMT2A (0.59) ALDH1A1MAOBMAOAKMT2AKDM4E
SCHEMBL8804348 0.87 MAOB (0.45) MAOBMAOAKMT2ACCR3KDM4E
SCHEMBL8804641 0.87 MAOB (0.55) ALDH1A1MAOBMAOAKMT2ACCR3
SCHEMBL8803651 0.86 KMT2A (0.61) ALDH1A1MAOBMAOAKMT2AKDM4E
SCHEMBL8805456 0.86 KMT2A (0.61) ALDH1A1MAOBMAOAKMT2AKDM4E
SCHEMBL8804783 0.86 KMT2A (0.61) ALDH1A1MAOBMAOAKMT2AKDM4E
SCHEMBL8803907 0.86 KMT2A (0.61) ALDH1A1MAOBMAOAKMT2AKDM4E

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