SCHEMBL5505604

SCHEMBL5505604

Oc1cc(-c2cccnc2)cc2c1N(C1CCN(CCc3ccccc3)CC1)c1ccccc1O2

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.46
DRD4 P21917 3/20 0.46
GSK3B P49841 1/20 0.41
ACHE P22303 1/20 0.37
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
CCR3 P51677 1/20 0.34

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
SCHEMBL5506807 0.91 DRD4 (0.44) DRD2DRD4GSK3BACHEKDM4E
SCHEMBL5507199 0.90 DRD2 (0.43) DRD2DRD4ACHEKDM4EMEN1
SCHEMBL5121453 0.87 DRD2 (0.49) DRD2DRD4GSK3BACHEMAPT
SCHEMBL5512732 0.84 DRD4 (0.35) DRD2DRD4GSK3BACHEKDM4E
SCHEMBL5508780 0.84 L3MBTL1 (0.38) DRD4KDM4EMAPK1MAPT
SCHEMBL5506511 0.83 DRD2 (0.46) DRD2DRD4GSK3BACHEMAPT
SCHEMBL5507937 0.82 PIM1 (0.37) KDM4E
SCHEMBL5503914 0.81 DRD2 (0.35) DRD2DRD4ACHEKDM4EMEN1
SCHEMBL5509159 0.81 DRD4 (0.43) DRD2DRD4ACHE
SCHEMBL5121438 0.77 DRD4 (0.47) DRD2DRD4GSK3BACHEMAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1846400-A2 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-24 EP claimed
WO-2006074388-A2 TRICYCLIC δ-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-13 WO claimed
EP-1846400-A2 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-24 EP disclosed
WO-2006074388-A2 TRICYCLIC δ-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-13 WO disclosed