SCHEMBL4733666

SCHEMBL4733666

O=C(c1ccnnc1)N(Cc1ccc(N2CCN(Cc3ccccc3)CC2)nc1)c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.49
OPRK1 P41145 1/20 0.49
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 2/20 0.48
TSHR P16473 1/20 0.48
ACHE P22303 3/20 0.44
PRKAA2 P54646 6/20 0.42
MAPT P10636 1/20 0.42
NPBWR1 P48145 1/20 0.42
MCHR1 Q99705 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CHRM4 P08173 1/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
MAPK14 Q16539 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
SCHEMBL4737659 0.92 KDM4E (0.47) OPRM1OPRK1ALDH1A1KDM4ETSHR
SCHEMBL4738909 0.90 TSHR (0.44) OPRM1OPRK1ALDH1A1KDM4ETSHR
SCHEMBL4735555 0.90 TSHR (0.53) OPRM1OPRK1ALDH1A1KDM4ETSHR
SCHEMBL4737305 0.89 DRD4 (0.45) ALDH1A1KDM4ETSHRACHEDRD2
SCHEMBL4733795 0.88 KDM4E (0.51) OPRM1OPRK1ALDH1A1KDM4ETSHR
SCHEMBL4738924 0.87 OPRM1 (0.40) OPRM1OPRK1ALDH1A1KDM4ETSHR
SCHEMBL4735549 0.86 MEN1 (0.43) OPRM1OPRK1ALDH1A1KDM4ETSHR
SCHEMBL4735426 0.86 OPRM1 (0.43) OPRM1OPRK1ALDH1A1KDM4ETSHR
SCHEMBL4736796 0.85 OPRM1 (0.49) OPRM1OPRK1ALDH1A1KDM4ETSHR
SCHEMBL4737014 0.85 HDAC2 (0.42) OPRM1OPRK1ALDH1A1KDM4ETSHR

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