SCHEMBL4786207

SCHEMBL4786207

O=C(Nc1ccc(C(=O)Nc2ccc(NCCCN3CCCC3)cc2)cc1)Nc1ccc(C(=O)Nc2ccc(NCCCN3CCCC3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.61
CHRNA7 P36544 4/20 0.59
KCNH2 Q12809 4/20 0.59
NAMPT P43490 4/20 0.53
MAPT P10636 2/20 0.52
HTR3A P46098 2/20 0.52
HRH3 Q9Y5N1 1/20 0.50
CNR1 P21554 1/20 0.50

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
SCHEMBL4788314 0.96 EPHX2 (0.60) EPHX2CHRNA7KCNH2NAMPTHTR3A
SCHEMBL4786227 0.91 EPHX2 (0.59) EPHX2CHRNA7KCNH2NAMPTMAPT
SCHEMBL4788021 0.88 EPHX2 (0.64) EPHX2CHRNA7KCNH2MAPT
SCHEMBL4787450 0.87 EPHX2 (0.63) EPHX2CHRNA7KCNH2NAMPTMAPT
SCHEMBL4788178 0.87 EPHX2 (0.58) EPHX2CHRNA7KCNH2HTR3A
SCHEMBL4787642 0.85 EPHX2 (0.63) EPHX2CHRNA7KCNH2HTR3A
SCHEMBL4786193 0.84 EPHX2 (0.56) EPHX2MAPTHTR3AHRH3CNR1
SCHEMBL4788976 0.83 POLB (0.54) EPHX2CHRNA7KCNH2MAPTHTR3A
SCHEMBL4786204 0.82 EPHX2 (0.60) EPHX2CHRNA7KCNH2MAPT
SCHEMBL30969280 0.81 HTR7 (0.53) EPHX2CHRNA7KCNH2NAMPTMAPT

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