SCHEMBL8804348

SCHEMBL8804348

CC(C)(C)c1cc(CCc2ccccc2NC(=O)NC2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc(C(C)(C)C)c1O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.45
MAOA P21397 2/20 0.45
CCR3 P51677 8/20 0.44
KDM4E B2RXH2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CACNA1A O00555 1/20 0.40
CACNA2D1 P54289 1/20 0.40
CACNB1 Q02641 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
EPHX2 P34913 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4D Q6B0I6 1/20 0.39
MGLL Q99685 1/20 0.39
P2RY1 P47900 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
SCHEMBL8804108 0.87 ALDH1A1 (0.51) MAOBMAOACCR3KDM4ETDP1
SCHEMBL8803570 0.87 MAOB (0.60) MAOBMAOACCR3KDM4ETDP1
SCHEMBL8803597 0.86 CCR3 (0.53) MAOBMAOACCR3KDM4ETDP1
SCHEMBL8802406 0.84 MAOB (0.52) MAOBMAOACCR3KDM4ETDP1
SCHEMBL8805098 0.83 MAOB (0.52) MAOBMAOACCR3KDM4ETDP1
SCHEMBL8803826 0.83 MAOB (0.57) MAOBMAOACCR3KDM4ETDP1
SCHEMBL8807258 0.83 KDM4E (0.53) MAOBMAOACCR3KDM4ETDP1
SCHEMBL8803881 0.83 MAOB (0.55) MAOBMAOACCR3KDM4ETDP1
SCHEMBL8806310 0.82 KDM4E (0.56) MAOBMAOACCR3KDM4ETDP1
SCHEMBL8806034 0.82 KMT2A (0.59) MAOBMAOAKDM4EEPHX2KMT2A

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