SCHEMBL8777895

SCHEMBL8777895

CC(C)(C)c1cc(CCCOc2ccccc2NC(=O)NC2CCN(Cc3ccccc3)CC2)cc(C(C)(C)C)c1O

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.64
MAOA P21397 3/20 0.64
SIGMAR1 Q99720 2/20 0.56
KDM4E B2RXH2 2/20 0.54
HSD17B10 Q99714 1/20 0.54
TSHR P16473 1/20 0.54
ACHE P22303 1/20 0.52
CCR3 P51677 6/20 0.51
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
DRD3 P35462 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
DCUN1D1 Q96GG9 1/20 0.49

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
SCHEMBL8805057 0.85 MAOB (0.69) MAOBMAOASIGMAR1KDM4EHSD17B10
SCHEMBL8804647 0.82 MAOB (0.64) MAOBMAOASIGMAR1KDM4EHSD17B10
SCHEMBL8805081 0.82 MAOB (0.64) MAOBMAOASIGMAR1KDM4EHSD17B10
SCHEMBL8804528 0.82 KDM4E (0.64) MAOBMAOASIGMAR1KDM4EHSD17B10
SCHEMBL8804925 0.82 MAOB (0.71) MAOBMAOASIGMAR1ACHECCR3
SCHEMBL8803570 0.81 MAOB (0.60) MAOBMAOASIGMAR1KDM4EHSD17B10
SCHEMBL8804219 0.81 MAOB (0.65) MAOBMAOASIGMAR1KDM4EHSD17B10
SCHEMBL8803034 0.80 MAOB (0.61) MAOBMAOASIGMAR1KDM4EHSD17B10
SCHEMBL8803135 0.80 SIGMAR1 (0.67) MAOBMAOASIGMAR1KDM4EHSD17B10
SCHEMBL8803545 0.80 MAOB (0.62) MAOBMAOASIGMAR1KDM4EHSD17B10

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-0665216-B1 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO (JP) 1997-12-29 EP disclosed
US-5576335-A TREATMENT OF HYPERCHOLESTEROLEMIA AND ATHEROSCLEROSIS NISSHIN FLOUR MILLING CO., LTD. (JP) 1996-11-19 US disclosed
EP-0665216-A1 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO., LTD. (JP) 1995-08-02 EP disclosed