SCHEMBL5555680

SCHEMBL5555680

CCc1nc2cc3c(cc2o1)CCN(CCCSc1nnc(-c2cccnc2)n1C)CC3.Cc1nc2cc3c(cc2o1)CCN(CCCSc1nnc(C2CCOCC2)n1C)CC3

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 20/20 0.79
KCNH2 Q12809 15/20 0.79
HRH1 P35367 1/20 0.52
DRD2 P14416 1/20 0.51

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
SCHEMBL2308180 0.89 DRD3 (1.00) DRD3KCNH2HRH1
Hydrochloric Acid SCHEMBL2308563 0.88 DRD3 (0.98) DRD3KCNH2HRH1
SCHEMBL2312613 0.86 DRD3 (1.00) DRD3KCNH2HRH1
SCHEMBL2308553 0.85 DRD3 (1.00) DRD3KCNH2HRH1DRD2
Hydrochloric Acid SCHEMBL2308190 0.84 DRD3 (0.98) DRD3KCNH2HRH1DRD2
SCHEMBL5551758 0.81 DRD3 (0.84) DRD3KCNH2HRH1
SCHEMBL2309167 0.76 DRD3 (1.00) DRD3KCNH2HRH1DRD2
Hydrochloric Acid SCHEMBL2309592 0.75 DRD3 (0.98) DRD3KCNH2HRH1DRD2
SCHEMBL2360197 0.75 DRD3 (0.79) DRD3KCNH2HRH1DRD2
SCHEMBL2315080 0.75 DRD3 (1.00) DRD3KCNH2HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1751163-A2 COMPOUNDS HAVING AFFINITY FOR DOPAMINE D3 RECEPTOR AND USES THEREOF GLAXO GROUP LIMITED (GB) 2007-02-14 EP disclosed
WO-2005118549-A2 COMPOUNDS HAVING AFFINITY FOR DOPAMINE D3 RECEPTOR AND USES THEREOF GLAXO GROUP LIMITED (GB) 2005-12-15 WO disclosed