SCHEMBL8788154

SCHEMBL8788154

CN(CC(=O)O)C(=O)[C@H]1CCCN1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 1/20 0.47
GLI1 P08151 1/20 0.42
PRCP P42785 2/20 0.39
NOS2 P35228 2/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
DPP4 P27487 3/20 0.35
DPP7 Q9UHL4 2/20 0.35
MEN1 O00255 1/20 0.34
BLM P54132 1/20 0.34
KMT2A Q03164 1/20 0.34
DPP8 Q6V1X1 2/20 0.34
DPP9 Q86TI2 2/20 0.34
FAP Q12884 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
SCHEMBL29772688 1.00 SCN4A (0.47) SCN4AGLI1PRCPNOS2NOS3
SCHEMBL3330058 0.82 SCN4A (0.49) SCN4AGLI1PRCPNOS2NOS3
SCHEMBL3359438 0.82 SCN4A (0.42) SCN4AGLI1PRCPNOS2NOS3
SCHEMBL28367481 0.81 SCN4A (0.41) SCN4AGLI1PRCPNOS2NOS3
SCHEMBL14537859 0.79 SCN4A (0.47) SCN4AGLI1PRCPNOS2NOS3
SCHEMBL4579452 0.79 SCN4A (0.47) SCN4AGLI1PRCPNOS2NOS3
SCHEMBL4579448 0.79 SCN4A (0.47) SCN4AGLI1PRCPNOS2NOS3
Creatine SCHEMBL19284479 0.79 NOS2 (0.45) SCN4AGLI1PRCPNOS2NOS3
Creatine SCHEMBL19284478 0.79 NOS2 (0.45) SCN4AGLI1PRCPNOS2NOS3
SCHEMBL7749879 0.78 SCN4A (0.46) SCN4AGLI1PRCPNOS2NOS3

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
EP-0626942-B1 BICYCLO[2.2.2.]OCTANE DERIVATIVES AS CHOLESTOCYSTOKININ INHIBITORS BLACK JAMES FOUNDATION (GB) 1997-04-23 EP disclosed
US-5514683-A LIGANDS FKOR CHOLECYSTOKININ OR GASTRIN RECEPTORS JAMES BLACK FOUNDATION LIMITED (GB) 1996-05-07 US disclosed
EP-0626942-A1 BICYCLO 2.2.2.]OCTANE DERIVATIVES AS CHOLESTOCYSTOKININ INHIBITORS. BLACK JAMES FOUNDATION (GB) 1994-12-07 EP disclosed
WO-1993016982-A1 BICYCLO[2.2.2.]OCTANE DERIVATIVES AS CHOLESTOCYSTOKININ INHIBITORS JAMES BLACK FOUNDATION LIMITED (GB) 1993-09-02 WO disclosed