SCHEMBL4787450

SCHEMBL4787450

O=C(Nc1cccc(C(=O)Nc2ccc(NCCCN3CCCCC3)cc2)c1)Nc1cccc(C(=O)Nc2ccc(NCCCN3CCCCC3)cc2)c1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.63
CHRNA7 P36544 5/20 0.58
KCNH2 Q12809 5/20 0.58
MCHR1 Q99705 3/20 0.52
GAA P10253 1/20 0.51
HTT P42858 1/20 0.51
RAB9A P51151 1/20 0.51
MCHR2 Q969V1 1/20 0.51
MAPT P10636 1/20 0.50
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.50
KMT2A Q03164 1/20 0.50
RAF1 P04049 1/20 0.49
KDR P35968 1/20 0.49
NAMPT P43490 1/20 0.49

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
SCHEMBL4788021 0.99 EPHX2 (0.64) EPHX2CHRNA7KCNH2MCHR1GAA
SCHEMBL4787642 0.96 EPHX2 (0.63) EPHX2CHRNA7KCNH2MCHR1GAA
SCHEMBL4786204 0.93 EPHX2 (0.60) EPHX2CHRNA7KCNH2MCHR1MCHR2
SCHEMBL4786227 0.90 EPHX2 (0.59) EPHX2CHRNA7KCNH2MCHR1MCHR2
SCHEMBL4786966 0.90 EPHX2 (0.59) EPHX2CHRNA7KCNH2MCHR1MCHR2
SCHEMBL4786193 0.90 EPHX2 (0.56) EPHX2MCHR1RAB9AMCHR2MAPT
SCHEMBL4788049 0.89 EPHX2 (0.69) EPHX2RAB9AMAPTMEN1KMT2A
SCHEMBL4786207 0.87 EPHX2 (0.61) EPHX2CHRNA7KCNH2MAPTNAMPT
SCHEMBL4788178 0.87 EPHX2 (0.58) EPHX2CHRNA7KCNH2MCHR1MCHR2
SCHEMBL14041773 0.85 EPHX2 (0.59) EPHX2RAB9APOLBKMT2A

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