SCHEMBL4579448

SCHEMBL4579448

CN(CC[O])C(=O)C1CCCN1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 2/20 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 4/20 0.35
DPP7 Q9UHL4 2/20 0.35
PIK3CD O00329 1/20 0.35
DPP8 Q6V1X1 2/20 0.34
DPP9 Q86TI2 2/20 0.34
FAP Q12884 1/20 0.33
PFKFB2 O60825 1/20 0.32
PFKFB1 P16118 1/20 0.32
PFKFB3 Q16875 1/20 0.32
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31

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
SCHEMBL4579452 1.00 SCN4A (0.47) SCN4AGLI1PRCPNOS2NOS3
SCHEMBL14537859 0.86 SCN4A (0.47) SCN4AGLI1PRCPNOS2NOS3
SCHEMBL3330058 0.82 SCN4A (0.49) SCN4AGLI1PRCPNOS2NOS3
SCHEMBL3834069 0.82 SCN4A (0.43) SCN4AGLI1PRCPNOS2NOS3
SCHEMBL26716397 0.82 SCN4A (0.43) SCN4AGLI1PRCPNOS2NOS3
Hydrochloric Acid SCHEMBL3830057 0.81 SCN4A (0.43) SCN4AGLI1PRCPNOS2NOS3
SCHEMBL29772688 0.79 SCN4A (0.47) SCN4AGLI1PRCPNOS2NOS3
SCHEMBL8788154 0.79 SCN4A (0.47) SCN4AGLI1PRCPNOS2NOS3
SCHEMBL7749879 0.78 SCN4A (0.46) SCN4AGLI1PRCPNOS2NOS3
SCHEMBL7749876 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951686-A1 QUINAZOLINE DERIVATIVES AS A MULTIPLEX INHIBITOR AND METHOD FOR THE PREPARATION THEREOF Hanmi Pharm. Co., Ltd. (KR) 2008-08-06 EP claimed
WO-2007055514-A1 QUINAZOLINE DERIVATIVES AS A MULTIPLEX INHIBITOR AND METHOD FOR THE PREPARATION THEREOF HANMI PHARM. CO., LTD. (KR) 2007-05-18 WO claimed