SCHEMBL5507199

SCHEMBL5507199

Oc1cc(-c2ccncc2)cc2c1N(C1CCN(CCc3ccccc3)CC1)c1ccccc1O2

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.43
DRD4 P21917 2/20 0.43
ACHE P22303 1/20 0.39
HTR2B P41595 1/20 0.39
MAPT P10636 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
CCR3 P51677 1/20 0.36
OPRM1 P35372 1/20 0.36
HTR2A P28223 1/20 0.35

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
SCHEMBL5509159 0.91 DRD4 (0.43) DRD2DRD4ACHEOPRM1
SCHEMBL5505604 0.90 DRD2 (0.46) DRD2DRD4ACHEMAPTKDM4E
SCHEMBL5115251 0.86 DRD2 (0.47) DRD2DRD4ACHEHTR2BMAPT
SCHEMBL5503914 0.84 DRD2 (0.35) DRD2DRD4ACHEMAPTKDM4E
SCHEMBL5508370 0.83 PARP2 (0.35) DRD2DRD4HTR2BKDM4EOPRM1
SCHEMBL5502548 0.83 L3MBTL1 (0.40) DRD4MAPTKDM4EMAPK1OPRM1
SCHEMBL5504474 0.82 DRD2 (0.43) DRD2DRD4ACHEMAPTCCR3
SCHEMBL5506807 0.81 DRD4 (0.44) DRD2DRD4ACHEMAPTKDM4E
SCHEMBL5511892 0.81 PIM1 (0.37) KDM4EMAPK1HTR2A
SCHEMBL5121453 0.76 DRD2 (0.49) DRD2DRD4ACHEMAPTOPRM1

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