SCHEMBL2819702

SCHEMBL2819702

Cn1c(-c2ccc(Cl)cc2)cnc1-c1ccsc1CCCN1C[C@@H]2C[C@]2(c2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 20/20 0.50
KCNH2 Q12809 20/20 0.50
DRD2 P14416 16/20 0.50
CYP1A2 P05177 1/20 0.44

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
SCHEMBL2819368 0.80 DRD3 (0.68) DRD3KCNH2DRD2CYP1A2
SCHEMBL1876340 0.74 DRD3 (0.60) DRD3KCNH2DRD2CYP1A2
Hydrochloric Acid SCHEMBL1884183 0.74 DRD3 (0.59) DRD3KCNH2DRD2CYP1A2
SCHEMBL2822551 0.72 DRD3 (0.75) DRD3KCNH2DRD2CYP1A2
Hydrochloric Acid SCHEMBL2819910 0.71 DRD3 (0.74) DRD3KCNH2DRD2CYP1A2
SCHEMBL378256 0.71 DRD3 (0.55) DRD3KCNH2DRD2CYP1A2
SCHEMBL13089084 0.71 DRD3 (0.55) DRD3KCNH2DRD2CYP1A2
SCHEMBL2819388 0.70 DRD3 (0.54) DRD3KCNH2DRD2CYP1A2
SCHEMBL1880957 0.69 DRD3 (0.73) DRD3KCNH2DRD2CYP1A2
SCHEMBL1879431 0.69 DRD3 (0.53) DRD3KCNH2DRD2CYP1A2

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
EP-1891057-B1 AZABICYCLO[3.1.0]HEXANE DERIVAIVES AS DOPAMIN D3 RECEPTOR MODULATORS GLAXO GROUP LTD (GB) 2010-10-27 EP claimed