SCHEMBL17519094

SCHEMBL17519094

CC(N)COC(C)CN1CCCC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.37
ANPEP P15144 1/20 0.36
ERAP2 Q6P179 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
MCHR1 Q99705 2/20 0.35
USP2 O75604 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL1105198 0.80 KMT2A (0.45) LTA4HPOLBKMT2AMEN1USP2
SCHEMBL17519109 0.77 LTA4H (0.39) LTA4HPOLBKMT2AMEN1USP2
SCHEMBL4876041 0.77 L3MBTL1 (0.42) LTA4HPOLBKMT2AMEN1USP2
SCHEMBL17519113 0.76 LTA4H (0.37) LTA4HPOLBKMT2AMEN1MCHR1
SCHEMBL996901 0.75
SCHEMBL12714698 0.75
SCHEMBL12381528 0.75
SCHEMBL21670735 0.73 LTA4H (0.38) LTA4HPOLBKMT2AMEN1USP2
SCHEMBL358919 0.73 MEN1 (0.50) ANPEPERAP2KMT2AMEN1MCHR1
SCHEMBL18205131 0.73 MEN1 (0.50) ANPEPERAP2KMT2AMEN1MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016020200-A1 NITROGEN-CONTAINING COMPOUNDS SUITABLE FOR USE IN THE PRODUCTION OF POLYURETHANES EVONIK DEGUSSA GMBH (DE) 2016-02-11 WO disclosed