SCHEMBL7294153

SCHEMBL7294153

CC(=O)NC(=O)[C@@H](N)CCCCN

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.54
GNAO1 P09471 1/20 0.54
GNAI1 P63096 1/20 0.54
GSR P00390 1/20 0.53
DPP7 Q9UHL4 4/20 0.50
DPP8 Q6V1X1 2/20 0.50
DPP9 Q86TI2 2/20 0.50
SLC15A1 P46059 1/20 0.49
TLR2 O60603 2/20 0.45
DPP4 P27487 1/20 0.44
MMP2 P08253 1/20 0.43
PAOX Q6QHF9 2/20 0.42
SIRT6 Q8N6T7 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
RRM1 P23921 1/20 0.41
TERT O14746 3/20 0.40
LTA4H P09960 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
SCHEMBL29616781 0.94 SLC15A1 (0.50) GNAI3GNAO1GNAI1GSRDPP7
SCHEMBL5499007 0.88 GSR (0.61) GNAI3GNAO1GNAI1GSRDPP7
SCHEMBL5495401 0.86 GSR (0.59) GNAI3GNAO1GNAI1GSRDPP7
SCHEMBL16367029 0.85 DPP8 (0.49) GNAI3GNAO1GNAI1GSRDPP7
SCHEMBL17982113 0.85 GSR (0.53) GNAI3GNAO1GNAI1GSRDPP7
SCHEMBL19088201 0.82 GSR (0.55) GNAI3GNAO1GNAI1GSRDPP7
SCHEMBL5016309 0.82 GNAI3 (0.49) GNAI3GNAO1GNAI1GSRDPP7
SCHEMBL16430142 0.81 GSR (0.53) GNAI3GNAO1GNAI1GSRDPP7
SCHEMBL19080648 0.80 GSR (0.57) GNAI3GNAO1GNAI1GSRDPP7
SCHEMBL6014706 0.80 GSR (0.57) GNAI3GNAO1GNAI1GSRDPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022106611-A1 NOVEL COMPOSITIONS OF BETA-LACTAM COMPOUNDS XELLIA PHARMACEUTICALS APS (DK) 2022-05-27 WO claimed
EP-0343911-A2 Cycloalkyl-substituted glutaramide diuretic agents Pfizer Limited (GB) 1989-11-29 EP claimed
WO-2022106630-A1 STABLE FORMULATIONS COMPRISING PIPERACILLIN AND/OR TAZOBACTAM XELLIA PHARMACEUTICALS APS (DK) 2022-05-27 WO disclosed
WO-2022106611-A1 NOVEL COMPOSITIONS OF BETA-LACTAM COMPOUNDS XELLIA PHARMACEUTICALS APS (DK) 2022-05-27 WO disclosed