SCHEMBL7419079

SCHEMBL7419079

CC(C)CC(NCC(C(=O)O)c1nc(CCC2CCCCC2)co1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
BMP1 P13497 4/20 0.35
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
OGFRL1 Q5TC84 1/20 0.33
REN P00797 3/20 0.32
CYP3A4 P08684 1/20 0.31
SPHK1 Q9NYA1 1/20 0.31
ALDH1A1 P00352 2/20 0.31
LNPEP Q9UIQ6 1/20 0.31
CNR2 P34972 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
C3AR1 Q16581 1/20 0.31
NPPA P01160 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
SCHEMBL7421752 0.82 MEN1 (0.39) BCHEMEN1KMT2ABMP1OPRM1
SCHEMBL7420461 0.80 BCHE (0.37) BCHEMEN1KMT2AOPRM1OPRD1
SCHEMBL5869917 0.79 NPPA (0.42) BCHEMEN1KMT2AOPRM1OPRD1
SCHEMBL8255171 0.79 NPPA (0.42) BCHEMEN1KMT2AOPRM1OPRD1
SCHEMBL7418500 0.77 BCHE (0.38) BCHEMEN1KMT2AOPRM1OPRD1
SCHEMBL7425447 0.76 DHFR (0.34) MEN1KMT2AALDH1A1MAPK1
SCHEMBL7425815 0.76 GRN (0.43) ALDH1A1MAPK1C3AR1
SCHEMBL5869416 0.75 NPPA (0.40) BCHEMEN1KMT2AOPRM1OPRD1
SCHEMBL8249944 0.75 NPPA (0.40) BCHEMEN1KMT2AOPRM1OPRD1
SCHEMBL7417318 0.73 CNR2 (0.40) ALDH1A1CNR2NPPAMME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 WO claimed
WO-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 WO disclosed