SCHEMBL9844338

SCHEMBL9844338

O=C(c1ccccc1)C1CCN(CCC2CN(c3cccc(C(F)(F)F)c3)C(=O)O2)CC1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.51
NOTUM Q6P988 1/20 0.50
HSD11B1 P28845 1/20 0.44
HTR2A P28223 1/20 0.43
MGLL Q99685 1/20 0.43
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KCNH2 Q12809 1/20 0.41
CHRM4 P08173 1/20 0.41

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
SCHEMBL9678728 0.91 GRM2 (0.52) GRM2NOTUMHSD11B1MGLLLMNA
SCHEMBL9844499 0.88 HTR2A (0.53) GRM2HTR2ALMNAMEN1KMT2A
SCHEMBL9844308 0.86 MAOA (0.56) GRM2NOTUMHSD11B1HTR2ALMNA
SCHEMBL9844336 0.85 GRM2 (0.56) GRM2HSD11B1HTR2AMGLLKCNH2
SCHEMBL9844426 0.84 GRM2 (0.52) GRM2NOTUMHTR2ACHRM4
SCHEMBL9844242 0.83 HTR2A (0.52) GRM2HTR2A
SCHEMBL9844055 0.81 GRM2 (0.49) GRM2HTR2AMGLLLMNAMEN1
SCHEMBL9844060 0.81 OPRM1 (0.53) GRM2
SCHEMBL9844433 0.80 SIGMAR1 (0.45) GRM2HTR2AKMT2AKCNH2
SCHEMBL9844329 0.79 SIGMAR1 (0.54) GRM2HTR2ALMNAMEN1KMT2A

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