SCHEMBL8030482

SCHEMBL8030482

Cc1cc(C)cc(N(C)C(=O)COc2ccccc2N(CCC2CCCCC2)C(=O)CNC(=O)Nc2cccc(CC(=O)O)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
CASR P41180 1/20 0.34
CCKBR P32239 3/20 0.34
EPHX1 P07099 2/20 0.34
HTR2A P28223 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
BDKRB2 P30411 3/20 0.34
CCR3 P51677 2/20 0.33
CCKAR P32238 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 1/20 0.33
EPHX2 P34913 1/20 0.33

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
SCHEMBL8020871 0.99 CNR1 (0.35) CNR1CNR2CASRCCKBREPHX1
SCHEMBL8020918 0.94 KMT2A (0.39) CNR1CNR2CASRCCKBREPHX1
SCHEMBL8036711 0.94 CASR (0.34) CASREPHX1HTR2ABDKRB2CCR3
SCHEMBL8029560 0.94 MEN1 (0.36) CNR1CNR2CCKBREPHX1HTR2A
SCHEMBL8030169 0.92 CNR1 (0.36) CNR1CNR2CASRCCKBREPHX1
SCHEMBL8020921 0.92 ACHE (0.35) CNR1CNR2CASRCCKBREPHX1
SCHEMBL8030430 0.92 MEN1 (0.36) CNR1CNR2HTR2AMEN1GAA
SCHEMBL8020773 0.91 KMT2A (0.37) CNR1CNR2CASRCCKBREPHX1
SCHEMBL8034153 0.90 EPHX2 (0.41) CNR1CNR2CASREPHX1MEN1
SCHEMBL8020547 0.90 BDKRB2 (0.41) CNR1CNR2CASRMEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0985660-A1 AMINOPHENOL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-03-15 EP disclosed