SCHEMBL13844682

SCHEMBL13844682

CC(=O)N1CC2CC2C1CNCc1ccc(O)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.37
ALDH1A1 P00352 1/20 0.36
CXCR4 P61073 1/20 0.35
POLB P06746 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
SOAT1 P35610 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
KDM4E B2RXH2 1/20 0.33
F13A1 P00488 1/20 0.33
VHL P40337 2/20 0.32
PTPN1 P18031 1/20 0.32
SCN8A Q9UQD0 1/20 0.32
CXCR3 P49682 1/20 0.32
DRD2 P14416 1/20 0.32
DRD1 P21728 1/20 0.32
DRD4 P21917 1/20 0.32
DRD5 P21918 1/20 0.32
DRD3 P35462 1/20 0.32

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
SCHEMBL13844685 0.77 HPGD (0.39) ALDH1A1POLBKDM4E
SCHEMBL3636540 0.73 HTT (0.40) DPP4ALDH1A1CXCR4HDAC6
SCHEMBL2933059 0.73 JAK2 (0.41) DPP4CA1KDM4E
SCHEMBL2933063 0.73 JAK2 (0.41) DPP4CA1KDM4E
SCHEMBL4067280 0.73 JAK2 (0.41) DPP4CA1KDM4E
SCHEMBL13844827 0.72 LTA4H (0.42)
SCHEMBL13844738 0.70 ECE1 (0.35) DPP4HDAC6
SCHEMBL12192550 0.68 ATM (0.35)
SCHEMBL12192557 0.68 ATM (0.35)
SCHEMBL496466 0.68 JAK2 (0.39) DPP4CA1KDM4E

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-2009058347-A1 ARYL-SUBSTITUTED BRIDGED OR FUSED DIAMINES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE JANSSEN PHARMACEUTICA N.V. (BE) 2009-05-07 WO disclosed