SCHEMBL9844167

SCHEMBL9844167

COc1ccccc1N1CC(CCN2CCC(C(=O)c3ccccc3)CC2)OC1=O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.46
HTR1A P08908 1/20 0.46
KCNH2 Q12809 1/20 0.46
HTR2A P28223 2/20 0.46
DRD2 P14416 1/20 0.44
KMT2A Q03164 1/20 0.44
TMEM97 Q5BJF2 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL9679094 0.90 HTR1A (0.46) HTR1AKCNH2HTR2ADRD2KMT2A
SCHEMBL9844433 0.86 SIGMAR1 (0.45) KCNH2HTR2AKMT2A
SCHEMBL9844329 0.85 SIGMAR1 (0.54) HTR1AKCNH2HTR2AKMT2A
SCHEMBL9844499 0.84 HTR2A (0.53) KCNH2HTR2AKMT2A
SCHEMBL9844336 0.83 GRM2 (0.56) HTR7KCNH2HTR2A
SCHEMBL9844082 0.83 SLC6A2 (0.60) HTR7KMT2ACYP2C19
SCHEMBL9844242 0.82 HTR2A (0.52) HTR7HTR2ACYP2D6
SCHEMBL9844227 0.80 SIGMAR1 (0.59) HTR7HTR1ATMEM97
SCHEMBL9844055 0.80 GRM2 (0.49) HTR7HTR1AKCNH2HTR2AKMT2A
SCHEMBL9844308 0.79 MAOA (0.56) KCNH2HTR2AKMT2A

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