SCHEMBL4733936

SCHEMBL4733936

O=C(c1ccoc1)N(Cc1ccc(N2CCN(CCc3ccccc3)CC2)nc1)c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.49
OPRD1 P41143 3/20 0.49
OPRK1 P41145 3/20 0.49
HTR1A P08908 5/20 0.46
DRD4 P21917 5/20 0.46
HTR2A P28223 5/20 0.46
DRD3 P35462 5/20 0.46
SLC6A4 P31645 2/20 0.46
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
PRKAA2 P54646 1/20 0.42
DRD2 P14416 4/20 0.42
HTR7 P34969 4/20 0.42
HTR2C P28335 3/20 0.42
DRD1 P21728 2/20 0.42
DRD5 P21918 2/20 0.42
TMEM97 Q5BJF2 2/20 0.42
SIGMAR1 Q99720 2/20 0.42
ADRA2C P18825 1/20 0.41

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
SCHEMBL4738686 0.87 OPRM1 (0.55) OPRM1OPRD1OPRK1HTR1ADRD4
SCHEMBL4737347 0.87 DRD4 (0.43) HTR1ADRD4HTR2ADRD3SLC6A4
SCHEMBL4734905 0.87 HDAC3 (0.40) OPRM1OPRK1HTR1ADRD4HTR2A
SCHEMBL4738913 0.86 MAOB (0.40) OPRM1OPRK1HTR1ADRD4HTR2A
SCHEMBL4737659 0.86 KDM4E (0.47) OPRM1OPRK1HTR1ADRD4HTR2A
SCHEMBL4785409 0.86 TSHR (0.52) HTR1ADRD4HTR2ADRD3SLC6A4
SCHEMBL4738789 0.85 OPRM1 (0.49) OPRM1OPRD1OPRK1HTR1ADRD4
SCHEMBL4734210 0.83 HTR1A (0.47) OPRM1HTR1ADRD4HTR2ADRD3
SCHEMBL4735318 0.82 OPRM1 (0.37) OPRM1OPRK1HTR1ADRD4HTR2A
SCHEMBL3830332 0.80 MEN1 (0.45) OPRM1OPRK1HTR1ADRD4HTR2A

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
WO-2008073461-A2 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO claimed