SCHEMBL8071216

SCHEMBL8071216

N=C(N)NCCCC(NC(=O)CC1CCC2CCCCC2N1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 3/20 0.39
▸ C3AR1 Q16581 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CPB2 Q96IY4 5/20 0.32
▸ CHRNB2 P17787 1/20 0.32
▸ CHRNB4 P30926 1/20 0.32
▸ CHRNA3 P32297 1/20 0.32
▸ CHRNA4 P43681 1/20 0.32
▸ SHMT1 P34896 1/20 0.32
▸ NOD1 Q9Y239 2/20 0.31
▸ GNPAT O15228 1/20 0.30
▸ GRIN1 Q05586 1/20 0.30
▸ GRIN2A Q12879 1/20 0.30

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
SCHEMBL10277311 0.81 EPHX2 (0.45) EPHX2C3AR1SMN1; SMN2CPB2CHRNB2
SCHEMBL10277291 0.80 EPHX2 (0.47) EPHX2C3AR1SMN1; SMN2CPB2CHRNB2
SCHEMBL27572862 0.79 EED (0.44) EPHX2C3AR1SMN1; SMN2CPB2
SCHEMBL29577658 0.79 EED (0.44) EPHX2C3AR1SMN1; SMN2CPB2
SCHEMBL27572870 0.79 EED (0.44) EPHX2C3AR1SMN1; SMN2CPB2
Acetic Acid SCHEMBL22639109 0.76 EED (0.44) EPHX2SMN1; SMN2CPB2
Acetic Acid SCHEMBL22639110 0.76 EED (0.44) EPHX2SMN1; SMN2CPB2
SCHEMBL6561158 0.74 GRIN1 (0.44) EPHX2SMN1; SMN2CHRNB2CHRNB4CHRNA3
SCHEMBL7897054 0.73 EPHX2 (0.44) EPHX2C3AR1SMN1; SMN2CPB2CHRNB2
SCHEMBL17104387 0.73 GRIN1 (0.45) EPHX2SMN1; SMN2CPB2CHRNB2CHRNB4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1017664-A1 C3A RECEPTOR LIGANDS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-12 — — EP claimed
WO-1999015490-A1 C3A RECEPTOR LIGANDS SMITHKLINE BEECHAM CORPORATION (US) 1999-04-01 — — WO claimed
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