SCHEMBL8090175

SCHEMBL8090175

N=C(N)NCCC[CH]NC(=O)C1(C(=O)NC2Cc3ccccc3C2)CCCC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.38
MAPT P10636 1/20 0.36
GRM7 Q14831 4/20 0.34
KDM4E B2RXH2 1/20 0.33
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
MMP8 P22894 1/20 0.32
SPHK1 Q9NYA1 4/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
RAB9A P51151 1/20 0.31
F2 P00734 1/20 0.31
PROC P04070 1/20 0.31
TP53 P04637 1/20 0.31
EPHX1 P07099 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
SCHEMBL8083888 0.87 MMP8 (0.33) KDM4EMTNR1AMTNR1BMMP8SPHK1
SCHEMBL8089916 0.82 MMP8 (0.44) MMP8SPHK1F2EPHX1
SCHEMBL8083449 0.81 EPHX2 (0.41) MMP8SPHK1F2PROC
SCHEMBL8092142 0.80 ALDH1A1 (0.48)
SCHEMBL8096021 0.80 CYP1A2 (0.37) MAPTKDM4EMMP8SPHK1LMNA
SCHEMBL8083486 0.80 EPHX2 (0.41) MMP8SPHK1F2PROCEPHX1
SCHEMBL8096623 0.78 MC4R (0.39) KDM4EF2
SCHEMBL8083551 0.78 EPHX2 (0.41) MMP8SPHK1F2PROC
SCHEMBL8095058 0.76 SPHK1 (0.43) MMP8SPHK1F2PROC
SCHEMBL8091477 0.76 TBXA2R (0.40) KDM4ELMNAF2

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
EP-0792883-B1 Novel derivates of boronic acid, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2000-12-20 EP disclosed
EP-0792883-A1 Novel derivates of boronic acid, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1997-09-03 EP disclosed