SCHEMBL8803545

SCHEMBL8803545

COc1cccc(CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1NC(=O)NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.62
MAOA P21397 3/20 0.62
SIGMAR1 Q99720 5/20 0.55
TSHR P16473 1/20 0.54
ACHE P22303 1/20 0.51
SLC6A12 P48065 1/20 0.50
DCUN1D1 Q96GG9 1/20 0.49
KDM4E B2RXH2 1/20 0.49
HSD17B10 Q99714 1/20 0.49
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
DRD3 P35462 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL8803115 0.89 MAOB (0.65) MAOBMAOASIGMAR1TSHRACHE
SCHEMBL8805057 0.86 MAOB (0.69) MAOBMAOASIGMAR1TSHRACHE
SCHEMBL8803219 0.85 MAOB (0.63) MAOBMAOASIGMAR1TSHRACHE
Hydrochloric Acid SCHEMBL8804469 0.84 MAOB (0.62) MAOBMAOASIGMAR1TSHRACHE
SCHEMBL8803135 0.84 SIGMAR1 (0.67) MAOBMAOASIGMAR1TSHRACHE
SCHEMBL8804647 0.84 MAOB (0.64) MAOBMAOASIGMAR1TSHRACHE
SCHEMBL8803225 0.83 MAOB (0.58) MAOBMAOASIGMAR1TSHRACHE
SCHEMBL8804925 0.82 MAOB (0.71) MAOBMAOASIGMAR1ACHEDCUN1D1
SCHEMBL8805081 0.82 MAOB (0.64) MAOBMAOASIGMAR1TSHRACHE
SCHEMBL8804959 0.82 MAOB (0.59) MAOBMAOASIGMAR1TSHRACHE

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