SCHEMBL2146339

SCHEMBL2146339

O=C(O)N1CC(O)C(Oc2ccccn2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FURIN P09958 1/20 0.43
HCRTR2 O43614 4/20 0.42
EPHX2 P34913 1/20 0.41
RIPK1 Q13546 1/20 0.39
KDM5A P29375 1/20 0.38
HCRTR1 O43613 1/20 0.37
HRH3 Q9Y5N1 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
PDE10A Q9Y233 1/20 0.34
SCD O00767 1/20 0.34
SCD5 Q86SK9 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
LMNA P02545 1/20 0.33
NAPRT Q6XQN6 1/20 0.33
P4HTM Q9NXG6 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
SCHEMBL28668608 0.85 FURIN (0.42) FURINHCRTR2EPHX2RIPK1KDM5A
SCHEMBL1740359 0.82 EPHX2 (0.50) FURINHCRTR2EPHX2RIPK1KDM5A
SCHEMBL29962133 0.82 GPR119 (0.48) PDE10A
SCHEMBL27160726 0.82 GPR119 (0.48) PDE10A
SCHEMBL30729521 0.75 KDM5A (0.58) HCRTR2EPHX2RIPK1KDM5AHCRTR1
SCHEMBL5152829 0.74 EPHX2 (0.63) HCRTR2EPHX2RIPK1KDM5AHCRTR1
Hydrochloric Acid SCHEMBL23928369 0.73 EPHX2 (0.62) HCRTR2EPHX2RIPK1KDM5AHCRTR1
SCHEMBL2146384 0.73 GRIN1 (0.39) RIPK1L3MBTL1
SCHEMBL2146654 0.71 CHRNA7 (0.46) CHRNA7LMNA
SCHEMBL29686345 0.70 GPR119 (0.49) FURINPDE10A

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-2011088045-A1 AURORA KINASE COMPOUNDS AND METHODS OF THEIR USE AMBIT BIOSCIENCES CORPORATION (US) 2011-07-21 WO disclosed