SCHEMBL9844499

SCHEMBL9844499

O=C(c1ccccc1)C1CCN(CCC2CN(c3ccccc3)C(=O)O2)CC1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.53
GRM2 Q14416 8/20 0.52
KCNH2 Q12809 2/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
KMT2A Q03164 1/20 0.50
HRH3 Q9Y5N1 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
SCHEMBL9844055 0.93 GRM2 (0.49) HTR2AGRM2KCNH2MEN1LMNA
SCHEMBL9844242 0.93 HTR2A (0.52) HTR2AGRM2
SCHEMBL9844329 0.90 SIGMAR1 (0.54) HTR2AGRM2KCNH2MEN1LMNA
SCHEMBL9844308 0.90 MAOA (0.56) HTR2AGRM2KCNH2MEN1LMNA
SCHEMBL9677080 0.89 MEN1 (0.52) HTR2AGRM2KCNH2MEN1LMNA
SCHEMBL9844336 0.88 GRM2 (0.56) HTR2AGRM2KCNH2
SCHEMBL9844338 0.88 GRM2 (0.51) HTR2AGRM2KCNH2MEN1LMNA
SCHEMBL9844433 0.86 SIGMAR1 (0.45) HTR2AGRM2KCNH2KMT2A
SCHEMBL9844167 0.84 HTR7 (0.46) HTR2AKCNH2KMT2A
SCHEMBL9678985 0.82 SIGMAR1 (0.52) HTR2AGRM2MEN1LMNAKMT2A

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