SCHEMBL9844300

SCHEMBL9844300

COc1ccccc1N1CC(CCN2CCC3(CC2)C(=O)NCN3c2ccccc2)OC1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.52
HTR1A P08908 5/20 0.52
OPRL1 P41146 5/20 0.52
OPRK1 P41145 5/20 0.51
CYP1A2 P05177 3/20 0.51
CYP2D6 P10635 3/20 0.51
NR1I2 O75469 3/20 0.51
DRD2 P14416 3/20 0.51
ADRA2B P18089 3/20 0.51
ADRA2C P18825 3/20 0.51
HTR2A P28223 3/20 0.51
ADRA1A P35348 3/20 0.51
DRD3 P35462 3/20 0.51
MEN1 O00255 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2C9 P11712 2/20 0.51
NFKB1 P19838 2/20 0.51
CYP2C19 P33261 2/20 0.51
KMT2A Q03164 2/20 0.51
HIF1A Q16665 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
SCHEMBL9844431 0.88 OPRM1 (0.53) OPRM1HTR1AOPRL1OPRK1CYP1A2
SCHEMBL9844492 0.87 OPRM1 (0.56) OPRM1HTR1AOPRL1OPRK1CYP1A2
SCHEMBL9844310 0.87 OPRM1 (0.57) OPRM1HTR1AOPRL1OPRK1CYP1A2
SCHEMBL9844265 0.86 OPRM1 (0.58) OPRM1HTR1AOPRL1OPRK1CYP1A2
SCHEMBL9844394 0.84 OPRM1 (0.61) OPRM1HTR1AOPRL1OPRK1CYP1A2
SCHEMBL9844276 0.83 GRM2 (0.51) OPRM1HTR1AOPRL1OPRK1CYP1A2
SCHEMBL9844225 0.82 PLD2 (0.56) OPRM1HTR1AOPRL1OPRK1CYP1A2
SCHEMBL10388553 0.80 HTR1A (0.55) OPRM1HTR1AOPRL1OPRK1CYP1A2
SCHEMBL9844227 0.79 SIGMAR1 (0.59) OPRM1HTR1AADRA1AADRA1DHTR7
SCHEMBL9844116 0.79 PLD2 (0.53) OPRM1HTR1AOPRL1OPRK1CYP1A2

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