SCHEMBL2406476

SCHEMBL2406476

NC(=O)c1ccc(N)c(OC2CCN(C(=O)O)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 6/20 0.43
PDE4B Q07343 5/20 0.41
PDE4A P27815 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
CHEK2 O96017 3/20 0.41
PARP10 Q53GL7 1/20 0.41
HSD11B1 P28845 1/20 0.41
OPRM1 P35372 2/20 0.39
KCNH2 Q12809 2/20 0.39

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
SCHEMBL12318251 0.83 PDE4D (0.58) PDE4BPDE4APDE4CPDE4DCHEK2
SCHEMBL1936992 0.83 SCD (0.41)
SCHEMBL2408739 0.82 POLB (0.46) OPRK1
SCHEMBL2444039 0.80 PDE4D (0.52) PDE4BPDE4APDE4CPDE4DCHEK2
SCHEMBL27900126 0.79 PARP10 (0.67) OPRK1CHEK2PARP10KCNH2
SCHEMBL27900111 0.77 OPRK1 (0.68) OPRK1OPRM1KCNH2
SCHEMBL23195608 0.77 PDE4B (0.46) PDE4BPDE4APDE4CPDE4D
SCHEMBL30138074 0.77 PDE4B (0.46) PDE4BPDE4APDE4CPDE4D
SCHEMBL3794283 0.77 PDE4B (0.43) OPRK1PDE4BPDE4APDE4CPDE4D
SCHEMBL19030310 0.76 IKBKB (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2539344-A1 HALOGEN OR CYANO SUBSTITUTED THIENO [2,3-D]PYRIMIDINES HAVING MNK1/MNK2 INHIBITING ACTIVITY FOR PHARMACEUTICAL COMPOSITIONS Boehringer Ingelheim International GmbH (DE) 2013-01-02 EP disclosed
WO-2011104338-A1 HALOGEN OR CYANO SUBSTITUTED THIENO [2,3-D]PYRIMIDINES HAVING MNK1/MNK2 INHIBITING ACTIVITY FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-01 WO disclosed