SCHEMBL8804205

SCHEMBL8804205

CC(C)(C)c1cc(CCc2ccccc2NC(=O)NC2CCCN(Cc3ccccc3)C2)cc(C(C)(C)C)c1O

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.55
MAOA P21397 5/20 0.55
CCR3 P51677 4/20 0.49
ACHE P22303 3/20 0.49
BCHE P06276 2/20 0.45
USP30 Q70CQ3 1/20 0.45
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 1/20 0.44
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
NPC1 O15118 2/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL8803034 0.95 MAOB (0.61) MAOBMAOACCR3ACHEBCHE
SCHEMBL8805057 0.90 MAOB (0.69) MAOBMAOACCR3ACHEBCHE
SCHEMBL8803222 0.88 KMT2A (0.46) MAOBMAOACCR3ACHEUSP30
SCHEMBL8806034 0.85 KMT2A (0.59) MAOBMAOAKDM4ENPC1KMT2A
SCHEMBL8804835 0.85 MAOB (0.58) MAOBMAOACCR3ACHEKDM4E
SCHEMBL8803651 0.85 KMT2A (0.61) MAOBMAOAKDM4ENPC1KMT2A
SCHEMBL8804783 0.85 KMT2A (0.61) MAOBMAOAKDM4ENPC1KMT2A
SCHEMBL8805456 0.85 KMT2A (0.61) MAOBMAOAKDM4ENPC1KMT2A
SCHEMBL8803907 0.85 KMT2A (0.61) MAOBMAOAKDM4ENPC1KMT2A
SCHEMBL8804067 0.84 MAOB (0.61) MAOBMAOACCR3ACHEKDM4E

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