SCHEMBL8804222

SCHEMBL8804222

CC(CNC(=O)Nc1ccccc1CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.39
TRPV1 Q8NER1 6/20 0.38
GAA P10253 3/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
SLC16A3 O15427 1/20 0.35
CCKAR P32238 1/20 0.35
CCKBR P32239 1/20 0.35
KCNQ2 O43526 1/20 0.35
F2R P25116 1/20 0.35
MAOB P27338 1/20 0.35
LMNA P02545 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL8805789 0.83 CCR3 (0.47) GAAKMT2AMEN1MAOBLMNA
SCHEMBL8805179 0.82 OPRL1 (0.35) MCHR1GAAKMT2ACCKARCCKBR
SCHEMBL8806503 0.81 GAA (0.39) TRPV1GAAKMT2AMEN1SLC16A3
SCHEMBL8805209 0.81 GAA (0.39) GAAKMT2AMEN1MAOBLMNA
SCHEMBL8804215 0.79 TRPV1 (0.40) TRPV1GAAKMT2AMEN1SLC16A3
SCHEMBL8805284 0.77 CFD (0.48) TRPV1GAAKMT2AMEN1MAOB
SCHEMBL8804280 0.77 CNR1 (0.51) KMT2AMEN1LMNAALDH1A1CYP3A4
SCHEMBL8804953 0.76 TRPV1 (0.49) TRPV1GAAKMT2AMEN1MAOB
SCHEMBL8804960 0.76 F2R (0.40) TRPV1GAAKMT2ASLC16A3CCKAR
SCHEMBL8804070 0.76 KMT2A (0.42) TRPV1GAAKMT2AMEN1MAOB

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