SCHEMBL7608854

SCHEMBL7608854

O=C(Nc1cccc(N2CCOCC2)c1)c1cccc(NC(=O)c2cccc(OC3CCNC3)c2)c1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.65
RPS6KA2 Q15349 1/20 0.50
JAK2 O60674 1/20 0.48
TBK1 Q9UHD2 1/20 0.48
MAPK14 Q16539 5/20 0.48
LCK P06239 1/20 0.48
MAP2K1 Q02750 1/20 0.48
EPHX2 P34913 1/20 0.47
NTRK1 P04629 1/20 0.47
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SETD2 Q9BYW2 2/20 0.45

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
SCHEMBL7609472 0.94 OPRK1 (0.69) OPRK1RPS6KA2MAPK14LCKMAP2K1
SCHEMBL2971456 0.91 OPRK1 (0.57) OPRK1RPS6KA2MAPK14LCKMAP2K1
SCHEMBL6484951 0.88 MAPK14 (0.60) OPRK1MAPK14LCKMAP2K1NTRK1
SCHEMBL2970301 0.86 OPRK1 (0.61) OPRK1MAPK14LCKMAP2K1NTRK1
SCHEMBL6476258 0.83 OPRK1 (0.62) OPRK1MAPK14LCKMAP2K1NTRK1
SCHEMBL7807945 0.81 OPRK1 (0.56) OPRK1MAPK14LCKMAP2K1NTRK1
SCHEMBL7853300 0.81 OPRK1 (0.56) OPRK1MAPK14LCKMAP2K1SETD2
SCHEMBL6974083 0.79 MAPK14 (0.59) MAPK14
SCHEMBL6476055 0.77 MAPK14 (0.67) OPRK1MAPK14LCKMAP2K1
SCHEMBL6490264 0.76 MAPK14 (0.58) OPRK1MAPK14

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
EP-1102743-B1 AMIDE DERIVATIVES WHICH ARE USEFUL AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2002-07-24 EP disclosed