SCHEMBL9844310

SCHEMBL9844310

COc1ccc(N2CC(CCN3CCC4(CC3)C(=O)NCN4c3ccccc3)OC2=O)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.57
OPRL1 P41146 2/20 0.57
SIGMAR1 Q99720 5/20 0.54
HTR1A P08908 4/20 0.53
GRM2 Q14416 1/20 0.52
SLC6A9 P48067 3/20 0.51
SLC6A5 Q9Y345 3/20 0.51
NR1I2 O75469 2/20 0.51
CYP1A2 P05177 2/20 0.51
ADRA2A P08913 2/20 0.51
CYP2D6 P10635 2/20 0.51
DRD2 P14416 2/20 0.51
ADRA2B P18089 2/20 0.51
ADRA2C P18825 2/20 0.51
DRD4 P21917 2/20 0.51
ADRA1D P25100 2/20 0.51
HTR2A P28223 2/20 0.51
HTR7 P34969 2/20 0.51
ADRA1A P35348 2/20 0.51
ADRA1B P35368 2/20 0.51

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
SCHEMBL9844265 0.92 OPRM1 (0.58) OPRM1OPRL1SIGMAR1HTR1AGRM2
SCHEMBL9844492 0.92 OPRM1 (0.56) OPRM1OPRL1SIGMAR1HTR1ASLC6A9
SCHEMBL9844431 0.89 OPRM1 (0.53) OPRM1OPRL1SIGMAR1HTR1ASLC6A9
SCHEMBL9844225 0.89 PLD2 (0.56) OPRM1OPRL1HTR1ASLC6A9SLC6A5
SCHEMBL9844394 0.89 OPRM1 (0.61) OPRM1OPRL1SIGMAR1HTR1ASLC6A9
SCHEMBL9844300 0.87 OPRM1 (0.52) OPRM1OPRL1SIGMAR1HTR1ASLC6A9
SCHEMBL9844276 0.85 GRM2 (0.51) OPRM1OPRL1HTR1AGRM2SLC6A9
SCHEMBL9677855 0.82 OPRM1 (0.67) OPRM1OPRL1SIGMAR1HTR1ASLC6A9
SCHEMBL9844116 0.81 PLD2 (0.53) OPRM1OPRL1SIGMAR1HTR1AGRM2
SCHEMBL10388553 0.80 HTR1A (0.55) OPRM1OPRL1SIGMAR1HTR1ANR1I2

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