SCHEMBL9844336

SCHEMBL9844336

COc1cccc(N2CC(CCN3CCC(C(=O)c4ccccc4)CC3)OC2=O)c1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 6/20 0.56
DRD4 P21917 1/20 0.47
KDM4E B2RXH2 1/20 0.47
HTR7 P34969 2/20 0.47
KDM2B Q8NHM5 3/20 0.46
HSD11B1 P28845 1/20 0.45
MGLL Q99685 1/20 0.45
KCNH2 Q12809 1/20 0.44
HTR2A P28223 1/20 0.44

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
SCHEMBL9678765 0.91 GRM2 (0.56) GRM2KDM4EKDM2BHSD11B1MGLL
SCHEMBL9844329 0.91 SIGMAR1 (0.54) GRM2KDM4EKCNH2HTR2A
SCHEMBL9844308 0.89 MAOA (0.56) GRM2HSD11B1KCNH2HTR2A
SCHEMBL9844499 0.88 HTR2A (0.53) GRM2KCNH2HTR2A
SCHEMBL9844433 0.88 SIGMAR1 (0.45) GRM2KDM2BKCNH2HTR2A
SCHEMBL9844338 0.85 GRM2 (0.51) GRM2HSD11B1MGLLKCNH2HTR2A
SCHEMBL9844167 0.83 HTR7 (0.46) HTR7KCNH2HTR2A
SCHEMBL9844084 0.83 GRM2 (0.57) GRM2HTR7HTR2A
SCHEMBL9844242 0.82 HTR2A (0.52) GRM2KDM4EHTR7HTR2A
SCHEMBL9844055 0.82 GRM2 (0.49) GRM2HTR7MGLLKCNH2HTR2A

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-0443197-A2 Oxazolidinones MERCK PATENT GmbH (DE) 1991-08-28 EP disclosed