SCHEMBL17104387

SCHEMBL17104387

N=C(N)NCCCC(NC(=O)C1CCCCC1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 4/20 0.45
▸ GRIN2A Q12879 4/20 0.45
▸ CHRNB2 P17787 6/20 0.45
▸ CHRNB4 P30926 6/20 0.45
▸ CHRNA3 P32297 6/20 0.45
▸ CHRNA4 P43681 6/20 0.45
▸ GRM1 Q13255 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ EPHX2 P34913 2/20 0.43
▸ NAAA Q02083 1/20 0.40
▸ GRIA1 P42261 1/20 0.40
▸ CPB2 Q96IY4 1/20 0.39

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
SCHEMBL6562711 1.00 GRIN1 (0.45) GRIN1GRIN2ACHRNB2CHRNB4CHRNA3
SCHEMBL6561158 0.99 GRIN1 (0.44) GRIN1GRIN2ACHRNB2CHRNB4CHRNA3
SCHEMBL6562366 0.89 GRIN1 (0.47) GRIN1GRIN2ACHRNB2CHRNB4CHRNA3
SCHEMBL7897054 0.89 EPHX2 (0.44) GRIN1GRIN2ACHRNB2CHRNB4CHRNA3
SCHEMBL7898530 0.89 NPY4R (0.47) SMN1; SMN2CPB2
SCHEMBL7898542 0.87 NPY4R (0.47) GRIN1GRIN2ASMN1; SMN2
SCHEMBL19165692 0.84 C3AR1 (0.36) GRIN1GRIN2ASMN1; SMN2EPHX2
SCHEMBL10277291 0.82 EPHX2 (0.47) GRIN1GRIN2ACHRNB2CHRNB4CHRNA3
SCHEMBL29421098 0.82 MEN1 (0.44) SMN1; SMN2EPHX2
SCHEMBL10650846 0.82 MEN1 (0.44) SMN1; SMN2EPHX2

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-2450374-B9 PEPTIDE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-11-23 — — EP disclosed
EP-2450374-B1 PEPTIDE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-09-30 — — EP disclosed
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