SCHEMBL8091564

SCHEMBL8091564

NCCCC(NC(=O)C1(C(=O)NCC(c2ccccc2)c2ccccc2)CCCC1)OBOC(CCCN)NC(=O)C1(C(=O)NCC(c2ccccc2)c2ccccc2)CCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 1/20 0.39
HTR2A P28223 1/20 0.35
HRH1 P35367 1/20 0.35
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
MME P08473 1/20 0.32
LMNA P02545 2/20 0.32
CHRM2 P08172 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
KMT2A Q03164 1/20 0.31
PSEN1 P49768 2/20 0.31
PSEN2 P49810 2/20 0.31
APH1B Q8WW43 2/20 0.31
NCSTN Q92542 2/20 0.31
APH1A Q96BI3 2/20 0.31
PSENEN Q9NZ42 2/20 0.31
HTT P42858 1/20 0.31
EPHX2 P34913 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
SCHEMBL8091565 0.93 CPB2 (0.38) CPB2HTR2AHRH1SLC1A2SLC1A1
SCHEMBL8098206 0.88 C3AR1 (0.35) CPB2SLC1A2SLC1A1SMN1; SMN2HTT
SCHEMBL8095182 0.87 MMP8 (0.40)
SCHEMBL8091668 0.86 MMP8 (0.39)
SCHEMBL8095466 0.85 CYP2C19 (0.39) KMT2A
SCHEMBL8090153 0.84 MMP8 (0.40) SMN1; SMN2
SCHEMBL8098087 0.84 MMP8 (0.44) MMEKMT2AEPHX2
SCHEMBL8095266 0.82 MMP1 (0.39) CPB2KMT2A
SCHEMBL8098170 0.81 MME (0.32) MMELMNA
SCHEMBL8098215 0.81 C3AR1 (0.37) CPB2SMN1; SMN2HTT

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