SCHEMBL7977028

SCHEMBL7977028

[NH]C(=O)NC1CCC(O)CC1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.65
MMP2 P08253 1/20 0.39
MMP8 P22894 1/20 0.39
EPHX1 P07099 7/20 0.37
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MAPT P10636 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
POLB P06746 1/20 0.37
F2 P00734 1/20 0.36
ST14 Q9Y5Y6 1/20 0.36
PKM P14618 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MFN2 O95140 1/20 0.33
HSD11B1 P28845 1/20 0.33

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
SCHEMBL968900 0.89
SCHEMBL3195592 0.79 EPHX2 (1.00) EPHX2MMP2MMP8EPHX1NPC1
SCHEMBL967136 0.79
SCHEMBL966686 0.79
SCHEMBL3195603 0.79 EPHX2 (1.00) EPHX2MMP2MMP8EPHX1NPC1
SCHEMBL481972 0.77 EPHX2 (0.68) EPHX2MMP2MMP8EPHX1NPC1
SCHEMBL530140 0.77 EPHX1 (0.64) EPHX2MMP2MMP8EPHX1NPC1
SCHEMBL1757033 0.77 EPHX1 (0.64) EPHX2MMP2MMP8EPHX1NPC1
SCHEMBL1756850 0.77 EPHX1 (0.64) EPHX2MMP2MMP8EPHX1NPC1
SCHEMBL1498319 0.77 EPHX2 (0.68) EPHX2MMP2MMP8EPHX1NPC1

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-2001007409-A1 CARBAZOLE DERIVATIVES AND THEIR USE AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS ASTRAZENECA UK LIMITED (GB) 2001-02-01 WO disclosed