SCHEMBL9844242

SCHEMBL9844242

O=C(c1ccccc1)C1CCN(CCC2CN(c3ccc(F)cc3)C(=O)O2)CC1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.52
KDM4E B2RXH2 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
HTR2C P28335 4/20 0.52
GRM2 Q14416 1/20 0.49
HTR7 P34969 1/20 0.49
HTR6 P50406 1/20 0.49

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
SCHEMBL9844499 0.93 HTR2A (0.53) HTR2AGRM2
SCHEMBL9844055 0.90 GRM2 (0.49) HTR2AGRM2HTR7
SCHEMBL9678371 0.90 SIGMAR1 (0.52) HTR2AKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL9844329 0.87 SIGMAR1 (0.54) HTR2AKDM4EGRM2
SCHEMBL9844308 0.83 MAOA (0.56) HTR2AGRM2
SCHEMBL9844338 0.83 GRM2 (0.51) HTR2AGRM2
SCHEMBL9844433 0.83 SIGMAR1 (0.45) HTR2AHTR2CGRM2
SCHEMBL9844336 0.82 GRM2 (0.56) HTR2AKDM4EGRM2HTR7
SCHEMBL9677080 0.82 MEN1 (0.52) HTR2AGRM2
SCHEMBL9844211 0.82 GRM2 (0.55) KDM4EGRM2

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