SCHEMBL4763455

SCHEMBL4763455

O=C(O)NCc1cc2ncc(NC(=O)C3CCOCC3)n2cc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.42
PTGER1 P34995 2/20 0.40
SLC2A2 P11168 1/20 0.38
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
KCNJ6 P48051 1/20 0.36
KCNJ5 P48544 1/20 0.36
KCNJ3 P48549 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
CDK9 P50750 1/20 0.36
P2RX7 Q99572 2/20 0.35
ABL1 P00519 1/20 0.35
P2RX3 P56373 1/20 0.35
MAPK1 P28482 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL339710 0.89 DPP4 (0.41) EPHX2PTGER1SLC2A2GSK3AGSK3B
SCHEMBL338896 0.88 ALDH1A1 (0.40) EPHX2PTGER1SLC2A2GSK3AGSK3B
SCHEMBL339320 0.74 DPP4 (0.41) EPHX2PTGER1SLC2A2GSK3AGSK3B
SCHEMBL4724684 0.73 DPP4 (0.36) EPHX2DPP4
SCHEMBL340129 0.72 ALDH1A1 (0.39) SLC2A2DPP4DPP8DPP9P2RX7
SCHEMBL338817 0.70 DPP4 (0.52) EPHX2DPP4DPP8DPP9
SCHEMBL338734 0.70 SLC2A2 (0.46) EPHX2SLC2A2DPP4DPP8DPP9
SCHEMBL339781 0.69 ALDH1A1 (0.38) DPP4DPP8DPP9
SCHEMBL4767528 0.69 CNR1 (0.40) EPHX2P2RX7
SCHEMBL338930 0.68 CRHR1 (0.41) SLC2A2DPP4DPP8DPP9

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-2004643-A1 ORGANIC COMPOUNDS Novartis AG (CH) 2008-12-24 EP disclosed
WO-2007113226-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2007-10-11 WO disclosed