SCHEMBL8803979

SCHEMBL8803979

CN(C)c1ccc(C2(CNC(=O)Nc3c(F)cc(F)cc3CCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)CCCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SOAT2 O75908 1/20 0.49
ACAT1 P24752 1/20 0.49
SOAT1 P35610 1/20 0.49
NMBR P28336 1/20 0.35
GRPR P30550 1/20 0.35
CACNA1G O43497 2/20 0.32
KMT2A Q03164 4/20 0.32
TSHR P16473 1/20 0.32
CASP1 P29466 1/20 0.32
P2RX7 Q99572 1/20 0.32
GAA P10253 3/20 0.32
MAPT P10636 2/20 0.31
MEN1 O00255 2/20 0.31
ALDH1A1 P00352 1/20 0.31
RIPK1 Q13546 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL8804251 0.84 SOAT2 (0.50) SOAT2ACAT1SOAT1NMBRGRPR
SCHEMBL8804204 0.71 NPC1 (0.43)
SCHEMBL8804151 0.71 RAB9A (0.42) KMT2AGAAMEN1RIPK1
SCHEMBL8806812 0.71 GAA (0.36) KMT2AGAAMEN1ALDH1A1
SCHEMBL8804541 0.70 KMT2A (0.48) KMT2ATSHRMEN1CYP3A4CYP2C19
SCHEMBL8805179 0.69 OPRL1 (0.35) KMT2AGAA
SCHEMBL1119316 0.69 SOAT2 (0.69) SOAT2ACAT1SOAT1NMBRGRPR
Hydrochloric Acid SCHEMBL15265491 0.69 SOAT2 (0.67) SOAT2ACAT1SOAT1NMBRGRPR
SCHEMBL8805166 0.69 SSTR4 (0.35) KMT2AGAAALDH1A1
SCHEMBL8804984 0.68 GAA (0.38) ACAT1SOAT1KMT2ATSHRGAA

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