SCHEMBL4786182

SCHEMBL4786182

O=C(Nc1cccc(NCCCN2CCCC2)c1)Nc1cccc(NC(=O)Nc2cccc(NC(=O)Nc3cccc(NCCCN4CCCC4)c3)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.54
MCHR1 Q99705 3/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
MCHR2 Q969V1 1/20 0.53
EPHX2 P34913 3/20 0.53
HTR7 P34969 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
ALOX15 P16050 1/20 0.50
HTR3A P46098 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HSD17B10 Q99714 1/20 0.49
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
SCHEMBL4786193 0.95 EPHX2 (0.56) POLBMCHR1MEN1KMT2AMCHR2
SCHEMBL4786204 0.92 EPHX2 (0.60) MCHR1MCHR2EPHX2HTR7MAPT
SCHEMBL4786227 0.91 EPHX2 (0.59) MCHR1MCHR2EPHX2MAPT
SCHEMBL4786966 0.88 EPHX2 (0.59) MCHR1MCHR2EPHX2HTR7HTR3A
SCHEMBL4788178 0.87 EPHX2 (0.58) MCHR1MCHR2EPHX2HTR3A
SCHEMBL4788021 0.85 EPHX2 (0.64) MCHR1MCHR2EPHX2HTR7MAPT
SCHEMBL4787450 0.84 EPHX2 (0.63) POLBMCHR1MEN1KMT2AMCHR2
SCHEMBL4788976 0.83 POLB (0.54) POLBMCHR1MEN1KMT2AMCHR2
SCHEMBL4787642 0.82 EPHX2 (0.63) MCHR1EPHX2HTR3A
SCHEMBL4788497 0.80 HTR3A (0.55) POLBMCHR1MEN1KMT2AMCHR2

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