SCHEMBL4787642

SCHEMBL4787642

O=C(Nc1cccc(C(=O)Nc2ccc(NCCCCN3CCCC3)cc2)c1)Nc1cccc(C(=O)Nc2ccc(NCCCCN3CCCC3)cc2)c1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.63
CHRNA7 P36544 4/20 0.54
KCNH2 Q12809 3/20 0.54
HTR3A P46098 3/20 0.52
HPSE Q9Y251 1/20 0.49
HTT P42858 2/20 0.48
GAA P10253 1/20 0.48
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48
HPGD P15428 1/20 0.48
MCHR1 Q99705 1/20 0.48
KDR P35968 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
SCHEMBL4788021 0.97 EPHX2 (0.64) EPHX2CHRNA7KCNH2HPSEHTT
SCHEMBL4787450 0.96 EPHX2 (0.63) EPHX2CHRNA7KCNH2HTTGAA
SCHEMBL4786966 0.94 EPHX2 (0.59) EPHX2CHRNA7KCNH2HTR3AALDH1A1
SCHEMBL4788178 0.91 EPHX2 (0.58) EPHX2CHRNA7KCNH2HTR3AHPSE
SCHEMBL4786204 0.91 EPHX2 (0.60) EPHX2CHRNA7KCNH2MCHR1
SCHEMBL4788314 0.88 EPHX2 (0.60) EPHX2CHRNA7KCNH2HTR3A
SCHEMBL4786227 0.88 EPHX2 (0.59) EPHX2CHRNA7KCNH2HPSEMCHR1
SCHEMBL4786193 0.87 EPHX2 (0.56) EPHX2HTR3ARAB9ATP53MCHR1
SCHEMBL4788049 0.87 EPHX2 (0.69) EPHX2RAB9AALDH1A1TP53KDR
SCHEMBL4788497 0.87 HTR3A (0.55) EPHX2CHRNA7KCNH2HTR3ARAB9A

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