SCHEMBL8030169

SCHEMBL8030169

CN(C(=O)COc1ccccc1N(CCC1CCCCC1)C(=O)CNC(=O)Nc1cccc(CC(=O)O)c1)c1cc(F)cc(F)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
ACHE P22303 3/20 0.35
CASR P41180 1/20 0.34
CCR3 P51677 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HTR2A P28223 2/20 0.33
EPHX1 P07099 2/20 0.33
GAA P10253 1/20 0.33
CYP19A1 P11511 1/20 0.33
CCKBR P32239 3/20 0.33
CCKAR P32238 1/20 0.33
FFAR1 O14842 1/20 0.33
PPARD Q03181 1/20 0.33
BCHE P06276 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL8020921 0.99 ACHE (0.35) CNR1CNR2ACHECASRCCR3
SCHEMBL8033899 0.94 KMT2A (0.34) ACHECASRCCR3MEN1KMT2A
SCHEMBL8030316 0.94 MEN1 (0.35) CNR1CNR2CCR3MEN1KMT2A
SCHEMBL8020918 0.94 KMT2A (0.39) CNR1CNR2ACHECASRCCR3
SCHEMBL8034117 0.93 KMT2A (0.35) ACHECASRCCR3MEN1KMT2A
SCHEMBL8030426 0.93 KMT2A (0.36) CNR1CNR2CCR3MEN1KMT2A
SCHEMBL8030482 0.92 CNR1 (0.37) CNR1CNR2ACHECASRCCR3
SCHEMBL8020871 0.92 CNR1 (0.35) CNR1CNR2CASRCCR3MEN1
SCHEMBL8033889 0.91 CNR1 (0.37) CNR1CNR2ACHECASRCCR3
SCHEMBL8030420 0.90 BDKRB2 (0.39) CNR1CNR2CASRCCR3MEN1

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