SCHEMBL6565448

SCHEMBL6565448

Cc1c(Cl)cc(N(C)C(=O)NC23CC4CC(CC(C4)C2)C3)c(O)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.41
CNR2 P34972 4/20 0.40
CNR1 P21554 2/20 0.40
FAAH O00519 1/20 0.39
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD11B1 P28845 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
SCN9A Q15858 1/20 0.36

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
SCHEMBL6568663 0.81 FAAH (0.39) EPHX2CNR2CNR1FAAHMAPT
SCHEMBL4348756 0.76 NPSR1 (0.55) EPHX2MAPTNPSR1ALDH1A1GAA
SCHEMBL3885380 0.72 ALDH1A1 (0.44) EPHX2CNR1MAPTNPSR1HSD11B1
SCHEMBL6568607 0.69 POLB (0.35) MAPTMEN1ALDH1A1GAAHTT
SCHEMBL4341456 0.65 NPC1 (0.41) EPHX2CNR2CNR1MEN1GAA
SCHEMBL4348906 0.64 EPHX2 (0.73) EPHX2MAPTNPSR1MEN1HTT
SCHEMBL4342426 0.63 NPC1 (0.40) EPHX2MAPTHSD11B1MEN1ALDH1A1
SCHEMBL6565633 0.63 HTT (0.49) EPHX2CNR2MAPTNPSR1MEN1
SCHEMBL8848470 0.63 CNR2 (0.56) EPHX2CNR2FAAHMAPTNPSR1
SCHEMBL9005229 0.62 KDM4E (0.60) EPHX2CNR2FAAHMAPTNPSR1

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-1402887-A1 New compounds for the inhibition of undesired cell proliferation and use thereof Jerini AG (DE) 2004-03-31 EP claimed
EP-1402888-A1 The use of substituted carbocyclic compounds as rotamases inhibitors Jerini AG (DE) 2004-03-31 EP claimed