SCHEMBL9844329

SCHEMBL9844329

COc1ccc(N2CC(CCN3CCC(C(=O)c4ccccc4)CC3)OC2=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 0.54
GRM2 Q14416 3/20 0.53
SLC18A3 Q16572 2/20 0.47
HTR1A P08908 1/20 0.46
KCNH2 Q12809 1/20 0.46
HTR2A P28223 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL9844336 0.91 GRM2 (0.56) GRM2KCNH2HTR2AKDM4E
SCHEMBL9677516 0.90 SIGMAR1 (0.66) SIGMAR1GRM2
SCHEMBL9844499 0.90 HTR2A (0.53) GRM2KCNH2HTR2AMEN1LMNA
SCHEMBL9844433 0.88 SIGMAR1 (0.45) SIGMAR1GRM2KCNH2HTR2AKMT2A
SCHEMBL9844242 0.87 HTR2A (0.52) GRM2HTR2AKDM4E
SCHEMBL9844055 0.87 GRM2 (0.49) GRM2HTR1AKCNH2HTR2AMEN1
SCHEMBL9844167 0.85 HTR7 (0.46) HTR1AKCNH2HTR2AKMT2A
SCHEMBL8799705 0.83 GRM2 (0.56) SIGMAR1GRM2
SCHEMBL9844308 0.83 MAOA (0.56) GRM2KCNH2HTR2AMEN1LMNA
SCHEMBL9844291 0.83 GRM2 (0.55) SIGMAR1GRM2

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