SCHEMBL9844265

SCHEMBL9844265

COc1cccc(N2CC(CCN3CCC4(CC3)C(=O)NCN4c3ccccc3)OC2=O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.58
OPRL1 P41146 5/20 0.58
HTR1A P08908 5/20 0.56
GRM2 Q14416 2/20 0.52
OPRK1 P41145 4/20 0.51
DRD2 P14416 3/20 0.51
ADRA1D P25100 3/20 0.51
ADRA1A P35348 3/20 0.51
ADRA1B P35368 3/20 0.51
DRD3 P35462 3/20 0.51
ADRB1 P08588 2/20 0.51
SLC6A2 P23975 2/20 0.51
HRH1 P35367 2/20 0.51
SLC6A3 Q01959 2/20 0.51
SIGMAR1 Q99720 2/20 0.51
OPRD1 P41143 2/20 0.51
CACNA1F O60840 1/20 0.51
CHRM2 P08172 1/20 0.51
CACNA1D Q01668 1/20 0.51
CACNA1S Q13698 1/20 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
SCHEMBL9844310 0.92 OPRM1 (0.57) OPRM1OPRL1HTR1AGRM2OPRK1
SCHEMBL9844431 0.90 OPRM1 (0.53) OPRM1OPRL1HTR1AOPRK1DRD2
SCHEMBL9844276 0.90 GRM2 (0.51) OPRM1OPRL1HTR1AGRM2OPRK1
SCHEMBL9844492 0.89 OPRM1 (0.56) OPRM1OPRL1HTR1AOPRK1DRD2
SCHEMBL9844300 0.86 OPRM1 (0.52) OPRM1OPRL1HTR1AOPRK1DRD2
SCHEMBL9844116 0.86 PLD2 (0.53) OPRM1OPRL1HTR1AGRM2OPRK1
SCHEMBL9844225 0.84 PLD2 (0.56) OPRM1OPRL1HTR1AOPRK1DRD2
SCHEMBL9844394 0.84 OPRM1 (0.61) OPRM1OPRL1HTR1AOPRK1DRD2
SCHEMBL9844085 0.81 SIGMAR1 (0.68) GRM2SIGMAR1HTR7
SCHEMBL10388553 0.81 HTR1A (0.55) OPRM1OPRL1HTR1AOPRK1DRD2

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