SCHEMBL4737945

SCHEMBL4737945

O=C(c1ccco1)N(Cc1ccc(N2CCN(CCC3CCCCC3)CC2)nc1)c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.44
LMNA P02545 2/20 0.43
DRD3 P35462 7/20 0.41
DRD2 P14416 6/20 0.41
HTR1A P08908 6/20 0.41
HTR2A P28223 6/20 0.41
KDM4E B2RXH2 2/20 0.39
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.39
KCNH2 Q12809 1/20 0.39
OPRK1 P41145 1/20 0.39
CHRM4 P08173 1/20 0.38
TMEM97 Q5BJF2 2/20 0.37
SIGMAR1 Q99720 2/20 0.37
DRD4 P21917 3/20 0.37
SLC6A4 P31645 2/20 0.37
USP2 O75604 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL4785360 0.87 LMNA (0.46) OPRM1LMNAKDM4ETSHRALDH1A1
SCHEMBL4735444 0.86 LMNA (0.52) OPRM1LMNAKDM4ETSHRALDH1A1
SCHEMBL4738686 0.86 OPRM1 (0.55) OPRM1LMNADRD3DRD2HTR1A
SCHEMBL4734088 0.85 LMNA (0.53) OPRM1LMNAKDM4ETSHRALDH1A1
SCHEMBL4735626 0.85 TSHR (0.42) OPRM1DRD3DRD2HTR1AHTR2A
SCHEMBL4735586 0.85 LMNA (0.53) OPRM1LMNAKDM4ETSHRALDH1A1
SCHEMBL4736215 0.84 LMNA (0.48) OPRM1LMNAKDM4ETSHRALDH1A1
SCHEMBL4735594 0.84 OPRM1 (0.48) OPRM1LMNADRD3DRD2HTR1A
SCHEMBL4735433 0.83 OPRM1 (0.40) OPRM1DRD3DRD2HTR1AHTR2A
SCHEMBL4738710 0.82 LMNA (0.49) OPRM1LMNADRD3DRD2HTR1A

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