SCHEMBL8804641

SCHEMBL8804641

CC(C)(C)CN1CCC(NC(=O)Nc2ccccc2CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.55
MAOA P21397 3/20 0.55
CCR3 P51677 3/20 0.48
P2RY1 P47900 4/20 0.47
KDM4E B2RXH2 5/20 0.47
TDP1 Q9NUW8 1/20 0.47
KMT2A Q03164 1/20 0.44
ACHE P22303 1/20 0.44
HSD17B10 Q99714 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL8803881 0.92 MAOB (0.55) MAOBMAOACCR3KDM4ETDP1
SCHEMBL8805057 0.90 MAOB (0.69) MAOBMAOACCR3KDM4ETDP1
SCHEMBL8804123 0.90 KDM4E (0.56) MAOBMAOACCR3KDM4ETDP1
SCHEMBL8802406 0.90 MAOB (0.52) MAOBMAOACCR3P2RY1KDM4E
SCHEMBL8804835 0.89 MAOB (0.58) MAOBMAOACCR3KDM4ETDP1
SCHEMBL8805098 0.89 MAOB (0.52) MAOBMAOACCR3P2RY1KDM4E
SCHEMBL8806310 0.88 KDM4E (0.56) MAOBMAOACCR3KDM4ETDP1
SCHEMBL8804067 0.88 MAOB (0.61) MAOBMAOACCR3KDM4ETDP1
SCHEMBL8806034 0.87 KMT2A (0.59) MAOBMAOAP2RY1KDM4EKMT2A
SCHEMBL8804108 0.87 ALDH1A1 (0.51) MAOBMAOACCR3P2RY1KDM4E

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