SCHEMBL8777941

SCHEMBL8777941

COc1ccc(NC(=O)NC2CC3CN(C)CC(C2)N3C)c(NC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.43
MAPT P10636 1/20 0.40
LPAR1 Q92633 1/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP1B1 Q16678 1/20 0.39
HTR3A P46098 3/20 0.38
HTR4 Q13639 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ABCB1 P08183 1/20 0.36
ABCC1 P33527 1/20 0.36
FASN P49327 1/20 0.36

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
Hydrochloric Acid SCHEMBL8946231 0.99 F10 (0.42) F10MAPTLPAR1CYP1A1CYP1A2
SCHEMBL8777858 0.84 F10 (0.49) F10MAPTLPAR1CYP1A1CYP1A2
SCHEMBL8778019 0.77 MAOB (0.67) MEN1KMT2A
SCHEMBL8777901 0.76 EPHX2 (0.52) F10MAPTLPAR1MEN1KMT2A
SCHEMBL8804145 0.74 MAOA (0.40)
SCHEMBL8778117 0.71 F10 (0.47) F10MAPTLPAR1CYP1A1CYP1A2
SCHEMBL8777906 0.71 F10 (0.47) F10MAPTLPAR1CYP1A1CYP1A2
SCHEMBL10537786 0.71 MAPT (0.67) MAPTHTR3AHTR4MEN1KMT2A
SCHEMBL8778033 0.71 HDAC1 (0.50) F10MAPTLPAR1CYP1A1CYP1A2
SCHEMBL10539974 0.70 MAPT (0.56) MAPTHTR3AHTR4MEN1KMT2A

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-0665216-B1 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO (JP) 1997-12-29 EP disclosed
US-5576335-A TREATMENT OF HYPERCHOLESTEROLEMIA AND ATHEROSCLEROSIS NISSHIN FLOUR MILLING CO., LTD. (JP) 1996-11-19 US disclosed
EP-0665216-A1 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO., LTD. (JP) 1995-08-02 EP disclosed