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SCHEMBL4786227

SCHEMBL4786227

O=C(Nc1ccc(C(=O)Nc2cccc(NCCCN3CCCC3)c2)cc1)Nc1ccc(C(=O)Nc2cccc(NCCCN3CCCC3)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 6/20 0.59
▸ CHRNA7 P36544 4/20 0.53
▸ KCNH2 Q12809 4/20 0.53
▸ MCHR1 Q99705 2/20 0.52
▸ MCHR2 Q969V1 1/20 0.52
▸ SIRT1 Q96EB6 1/20 0.51
▸ HPSE Q9Y251 2/20 0.50
▸ NAMPT P43490 2/20 0.50
▸ MAPT P10636 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
SCHEMBL4788178 0.97 EPHX2 (0.58) EPHX2CHRNA7KCNH2MCHR1MCHR2
SCHEMBL4786204 0.92 EPHX2 (0.60) EPHX2CHRNA7KCNH2MCHR1MCHR2
SCHEMBL4788021 0.91 EPHX2 (0.64) EPHX2CHRNA7KCNH2MCHR1MCHR2
SCHEMBL4786193 0.91 EPHX2 (0.56) EPHX2MCHR1MCHR2MAPT
SCHEMBL4786207 0.91 EPHX2 (0.61) EPHX2CHRNA7KCNH2NAMPTMAPT
SCHEMBL4786182 0.91 POLB (0.54) EPHX2MCHR1MCHR2MAPT
SCHEMBL4787450 0.90 EPHX2 (0.63) EPHX2CHRNA7KCNH2MCHR1MCHR2
SCHEMBL4786966 0.89 EPHX2 (0.59) EPHX2CHRNA7KCNH2MCHR1MCHR2
SCHEMBL4787642 0.88 EPHX2 (0.63) EPHX2CHRNA7KCNH2MCHR1HPSE
SCHEMBL4788314 0.87 EPHX2 (0.60) EPHX2CHRNA7KCNH2NAMPT

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