SCHEMBL6213019

SCHEMBL6213019

CC(C)(C)OC(=O)N1CCCCC1C#N.CC(C)(C)OC(=O)N1CCCCC1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.46
DPP4 P27487 7/20 0.44
DPP8 Q6V1X1 2/20 0.44
DPP9 Q86TI2 2/20 0.44
RAB9A P51151 1/20 0.42
CTSK P43235 1/20 0.42
NPC1 O15118 1/20 0.41
USP30 Q70CQ3 1/20 0.41

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
SCHEMBL19055875 0.91 DPP4 (0.51) DPP4DPP8DPP9CTSK
SCHEMBL3966030 0.91 DPP4 (0.51) DPP4DPP8DPP9CTSK
SCHEMBL82202 0.91 DPP4 (0.51) DPP4DPP8DPP9CTSK
SCHEMBL65490 0.88 HSD17B10 (0.63) HSD17B10SMN1; SMN2RAB9ANPC1
SCHEMBL77858 0.88 HSD17B10 (0.63) HSD17B10SMN1; SMN2RAB9ANPC1
SCHEMBL65491 0.88 HSD17B10 (0.63) HSD17B10SMN1; SMN2RAB9ANPC1
SCHEMBL5898691 0.86 HSD17B10 (0.62) HSD17B10SMN1; SMN2RAB9ANPC1
SCHEMBL18358031 0.86 HSD17B10 (0.62) HSD17B10SMN1; SMN2RAB9ANPC1
SCHEMBL222955 0.86 HSD17B10 (0.62) HSD17B10SMN1; SMN2RAB9ANPC1
SCHEMBL240005 0.86 DPP4 (0.56) HSD17B10DPP4DPP8DPP9CTSK

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-1581525-A2 COMPOUNDS HAVING AN ACTIVITY AT METABOTROPIC GLUTAMATE RECEPTORS AstraZeneca AB (SE) 2005-10-05 EP disclosed
WO-2004014902-A2 COMPOUNDS HAVING AN ACTIVITY AT METABOTROPIC GLUTAMATE RECEPTORS ASTRAZENECA AB (SE) 2004-02-19 WO disclosed