SCHEMBL4788976

SCHEMBL4788976

O=C(Nc1cc(NCCCN2CCCC2)cc(C(=O)Nc2ccccc2)c1)Nc1cc(NCCCN2CCCC2)cc(C(=O)Nc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.54
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
CHRNA7 P36544 4/20 0.52
KCNH2 Q12809 4/20 0.52
EPHX2 P34913 4/20 0.51
MCHR1 Q99705 3/20 0.51
HTR3A P46098 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
MCHR2 Q969V1 2/20 0.49
HTR7 P34969 2/20 0.49
NPC1 O15118 1/20 0.49
TP53 P04637 1/20 0.49
RAB9A P51151 1/20 0.49
MAPT P10636 1/20 0.48
SIRT1 Q96EB6 1/20 0.48

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
SCHEMBL4788497 0.97 HTR3A (0.55) POLBKMT2AMEN1CHRNA7KCNH2
SCHEMBL4786204 0.87 EPHX2 (0.60) CHRNA7KCNH2EPHX2MCHR1MCHR2
SCHEMBL14041580 0.86 POLB (0.63) POLBKMT2AMEN1ALDH1A1LMNA
SCHEMBL4786227 0.86 EPHX2 (0.59) CHRNA7KCNH2EPHX2MCHR1MCHR2
SCHEMBL4788021 0.86 EPHX2 (0.64) CHRNA7KCNH2EPHX2MCHR1ALDH1A1
SCHEMBL4787450 0.85 EPHX2 (0.63) POLBKMT2AMEN1CHRNA7KCNH2
SCHEMBL4786966 0.84 EPHX2 (0.59) CHRNA7KCNH2EPHX2MCHR1HTR3A
SCHEMBL4788178 0.83 EPHX2 (0.58) CHRNA7KCNH2EPHX2MCHR1HTR3A
SCHEMBL4787642 0.83 EPHX2 (0.63) CHRNA7KCNH2EPHX2MCHR1HTR3A
SCHEMBL4786193 0.83 EPHX2 (0.56) POLBKMT2AMEN1EPHX2MCHR1

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
WO-2008122667-A2 UREYLENE DERIVATIVES SCHOOL OF PHARMACY (GB) 2008-10-16 WO disclosed