SCHEMBL8804647

SCHEMBL8804647

CC(C)(C)c1cc(CCc2cc(F)ccc2NC(=O)NC2CCN(Cc3ccccc3)CC2)cc(C(C)(C)C)c1O

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.64
MAOA P21397 3/20 0.64
KMT2A Q03164 2/20 0.55
ALDH1A1 P00352 2/20 0.55
POLB P06746 1/20 0.55
SIGMAR1 Q99720 4/20 0.54
CCR3 P51677 2/20 0.52
ACHE P22303 1/20 0.52
TSHR P16473 1/20 0.51
KDM4E B2RXH2 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
DRD3 P35462 1/20 0.50
HSD17B10 Q99714 1/20 0.50
DCUN1D1 Q96GG9 2/20 0.49
UBE2M P61081 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
SCHEMBL8805081 0.93 MAOB (0.64) MAOBMAOAKMT2AALDH1A1POLB
SCHEMBL8803570 0.91 MAOB (0.60) MAOBMAOAKMT2AALDH1A1POLB
SCHEMBL8805057 0.91 MAOB (0.69) MAOBMAOAKMT2AALDH1A1POLB
SCHEMBL8805525 0.89 MAOB (0.58) MAOBMAOAKMT2AALDH1A1POLB
SCHEMBL8803135 0.89 SIGMAR1 (0.67) MAOBMAOAKMT2ASIGMAR1CCR3
SCHEMBL8803219 0.88 MAOB (0.63) MAOBMAOAKMT2AALDH1A1POLB
SCHEMBL8803826 0.87 MAOB (0.57) MAOBMAOAKMT2AALDH1A1POLB
Hydrochloric Acid SCHEMBL8804469 0.87 MAOB (0.62) MAOBMAOAKMT2AALDH1A1POLB
SCHEMBL8807258 0.87 KDM4E (0.53) MAOBMAOAKMT2AALDH1A1POLB
SCHEMBL8804219 0.86 MAOB (0.65) MAOBMAOAKMT2ASIGMAR1CCR3

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