SCHEMBL17519113

SCHEMBL17519113

CC(CN1CCCC1)OCCN

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.37
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
ALDH1A1 P00352 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
SCHEMBL17519105 0.89 USP2 (0.36) LTA4HPOLBMEN1KMT2AMCHR1
SCHEMBL21670735 0.82 LTA4H (0.38) LTA4HPOLBMEN1KMT2AUSP2
SCHEMBL17519104 0.80 MAPT (0.42) LTA4HPOLBMEN1KMT2AUSP2
SCHEMBL17519096 0.77 CARM1 (0.45) LTA4HPOLBMEN1KMT2AMCHR1
SCHEMBL4876041 0.77 L3MBTL1 (0.42) LTA4HPOLBMEN1KMT2AUSP2
SCHEMBL17519094 0.76 LTA4H (0.37) LTA4HPOLBMEN1KMT2AMCHR1
SCHEMBL12349176 0.76 KDM4E (0.36) POLBMEN1KMT2ATSHRMAPT
SCHEMBL17519114 0.74 CARM1 (0.42) LTA4HPOLBMEN1KMT2AUSP2
SCHEMBL1105198 0.72 KMT2A (0.45) LTA4HPOLBMEN1KMT2AUSP2
SCHEMBL14435203 0.72 MEN1 (0.42) LTA4HPOLBMEN1KMT2AUSP2

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