SCHEMBL20031456

SCHEMBL20031456

O=C(O)c1cccc(N2C[C@H]3CCC[C@H]3C2)n1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
ACMSD Q8TDX5 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HSD11B1 P28845 4/20 0.46
TTR P02766 1/20 0.46
GNE Q9Y223 1/20 0.45
SMPD3 Q9NY59 2/20 0.41
PRKCQ Q04759 3/20 0.40
RBP4 P02753 2/20 0.40
GRM1 Q13255 2/20 0.40
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
GRIN2B Q13224 1/20 0.40
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL836939 0.79 GNE (0.60) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL14879835 0.79 GNE (0.56) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL20031106 0.79 RBP4 (0.54) SMPD3RBP4HCRTR1HCRTR2
SCHEMBL31480075 0.78 TTR (0.47) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL9005458 0.78 PRKCQ (0.62) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL2638003 0.78 TTR (0.53) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL16834258 0.78 ALDH1A1 (0.47) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL17373798 0.78 TTR (0.53) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL20055871 0.78 ALDH1A1 (0.47) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL3469975 0.78 KDM4E (0.46) KDM4EALOX15TSHRACMSDTDP1

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-2018059314-A1 AZABICYCLE DERIVATIVES AND PREPARATION METHOD AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2018-04-05 WO disclosed