SCHEMBL4786966

SCHEMBL4786966

O=C(Nc1cccc(C(=O)Nc2cccc(NCCCCN3CCCC3)c2)c1)Nc1cccc(C(=O)Nc2cccc(NCCCCN3CCCC3)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.59
CHRNA7 P36544 2/20 0.50
KCNH2 Q12809 2/20 0.50
HTR7 P34969 2/20 0.49
SIRT1 Q96EB6 1/20 0.48
FPR3 P25089 1/20 0.48
FPR2 P25090 1/20 0.48
HTR3A P46098 2/20 0.47
MCHR1 Q99705 2/20 0.47
MCHR2 Q969V1 1/20 0.47
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL4786204 0.97 EPHX2 (0.60) EPHX2CHRNA7KCNH2HTR7SIRT1
SCHEMBL4787642 0.94 EPHX2 (0.63) EPHX2CHRNA7KCNH2HTR3AMCHR1
SCHEMBL4788178 0.92 EPHX2 (0.58) EPHX2CHRNA7KCNH2SIRT1HTR3A
SCHEMBL4788021 0.91 EPHX2 (0.64) EPHX2CHRNA7KCNH2HTR7MCHR1
SCHEMBL4787450 0.90 EPHX2 (0.63) EPHX2CHRNA7KCNH2MCHR1MCHR2
SCHEMBL4786227 0.89 EPHX2 (0.59) EPHX2CHRNA7KCNH2SIRT1MCHR1
SCHEMBL4786182 0.88 POLB (0.54) EPHX2HTR7HTR3AMCHR1MCHR2
SCHEMBL4788497 0.88 HTR3A (0.55) EPHX2CHRNA7KCNH2HTR7SIRT1
SCHEMBL4788976 0.84 POLB (0.54) EPHX2CHRNA7KCNH2HTR7SIRT1
SCHEMBL4786193 0.83 EPHX2 (0.56) EPHX2HTR3AMCHR1MCHR2MAPT

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