SCHEMBL5504474

SCHEMBL5504474

Oc1cc(-c2ccncc2)cc2c1N(C1CCN(CCc3ccccc3)CC1)c1ccccc1S2

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.43
DRD4 P21917 2/20 0.43
ACHE P22303 1/20 0.39
KDM1A O60341 2/20 0.37
MAPT P10636 1/20 0.37
CCR3 P51677 1/20 0.36
PRCP P42785 1/20 0.36
HRH3 Q9Y5N1 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
SCHEMBL5506511 0.90 DRD2 (0.46) DRD2DRD4ACHEKDM1AMAPT
SCHEMBL5115110 0.86 DRD2 (0.47) DRD2DRD4ACHEKDM1AMAPT
SCHEMBL5504518 0.84 KDM1A (0.40) ACHEKDM1AMAPTCCR3HTR2A
SCHEMBL5512320 0.82 HRH3 (0.41) DRD2DRD4KDM1AHRH3HTR2A
SCHEMBL5507199 0.82 DRD2 (0.43) DRD2DRD4ACHEMAPTCCR3
SCHEMBL5116584 0.76 DRD2 (0.49) DRD2DRD4ACHEKDM1AMAPT
SCHEMBL5505604 0.73 DRD2 (0.46) DRD2DRD4ACHEMAPTCCR3
SCHEMBL5115279 0.72 ACHE (0.44) DRD2ACHEKDM1AMAPTCCR3
SCHEMBL5509159 0.72 DRD4 (0.43) DRD2DRD4ACHE
SCHEMBL5115251 0.71 DRD2 (0.47) DRD2DRD4ACHEMAPTCCR3

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