SCHEMBL8804960

SCHEMBL8804960

CC(CN(C)C(=O)Nc1cc(Cl)ccc1CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2R P25116 4/20 0.40
TRPV1 Q8NER1 2/20 0.35
MAPT P10636 1/20 0.35
CCKAR P32238 1/20 0.34
CCKBR P32239 1/20 0.34
ERCC1 P07992 1/20 0.33
ERCC4 Q92889 1/20 0.33
GAA P10253 3/20 0.33
SLC16A3 O15427 1/20 0.33
RAB9A P51151 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.31
CCR2 P41597 2/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL8805075 0.84 TRPV1 (0.36) F2RTRPV1MAPTERCC1ERCC4
SCHEMBL8804954 0.80 GAA (0.35) F2RTRPV1MAPTERCC1ERCC4
SCHEMBL8803620 0.77 GAA (0.36) MAPTGAAKMT2AALDH1A1LMNA
SCHEMBL8804222 0.76 MCHR1 (0.39) F2RTRPV1CCKARCCKBRGAA
SCHEMBL8806409 0.73 HDAC8 (0.45) MAPTKMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL8804470 0.71 OPRM1 (0.41) GAAKMT2AALDH1A1LMNAHTT
SCHEMBL8805179 0.70 OPRL1 (0.35) F2RCCKARCCKBRGAAKMT2A
SCHEMBL8805028 0.69 SLC6A3 (0.43) MAPTRAB9AKMT2ASMN1; SMN2
SCHEMBL8803886 0.67 TRPV1 (0.33) TRPV1GAAKMT2AALDH1A1LMNA
SCHEMBL8804530 0.65 GAA (0.40) F2RGAAKMT2AALDH1A1LMNA

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