SCHEMBL9844116

SCHEMBL9844116

O=C1OC(CCN2CCC3(CC2)C(=O)NCN3c2ccccc2)CN1c1cccc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLD2 O14939 1/20 0.53
SLC6A9 P48067 1/20 0.50
OPRM1 P35372 8/20 0.49
OPRL1 P41146 6/20 0.49
OPRK1 P41145 6/20 0.48
CYP1A2 P05177 4/20 0.48
CYP2D6 P10635 4/20 0.48
DRD2 P14416 4/20 0.48
ADRA2B P18089 4/20 0.48
ADRA2C P18825 4/20 0.48
HTR2A P28223 4/20 0.48
ADRA1A P35348 4/20 0.48
DRD3 P35462 4/20 0.48
OPRD1 P41143 4/20 0.48
NR1I2 O75469 3/20 0.48
CYP3A4 P08684 3/20 0.48
CYP2C19 P33261 3/20 0.48
HIF1A Q16665 3/20 0.48
LMNA P02545 3/20 0.48
ADRB1 P08588 3/20 0.48

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
SCHEMBL9844492 0.89 OPRM1 (0.56) SLC6A9OPRM1OPRL1OPRK1CYP1A2
SCHEMBL9844276 0.87 GRM2 (0.51) PLD2SLC6A9OPRM1OPRL1OPRK1
SCHEMBL9844265 0.86 OPRM1 (0.58) PLD2SLC6A9OPRM1OPRL1OPRK1
SCHEMBL9844394 0.85 OPRM1 (0.61) PLD2SLC6A9OPRM1OPRL1OPRK1
SCHEMBL9844225 0.84 PLD2 (0.56) PLD2SLC6A9OPRM1OPRL1OPRK1
SCHEMBL9844431 0.83 OPRM1 (0.53) PLD2SLC6A9OPRM1OPRL1OPRK1
SCHEMBL9844060 0.82 OPRM1 (0.53) OPRM1OPRL1OPRK1CYP2D6OPRD1
SCHEMBL9844310 0.81 OPRM1 (0.57) SLC6A9OPRM1OPRL1OPRK1CYP1A2
SCHEMBL9677855 0.79 OPRM1 (0.67) SLC6A9OPRM1OPRL1OPRK1CYP1A2
SCHEMBL9844330 0.79 OPRL1 (0.54) OPRM1OPRL1OPRK1CYP2D6OPRD1

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