SCHEMBL8242574

SCHEMBL8242574

COc1cccc2c1C(C(=N)N)CCC2

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
HTR1A P08908 12/20 0.43

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
SCHEMBL20478656 0.81 DRD4 (0.50) DRD4HTR1A
SCHEMBL266635 0.77 DRD2 (0.50) DRD2DRD3HTR1A
SCHEMBL15577014 0.75 DRD2 (0.49) DRD2DRD3HTR1A
SCHEMBL7214403 0.75 PIN1 (0.52) DRD2HTR1A
SCHEMBL265887 0.73 ACHE (0.58) DRD2DRD3HTR1A
SCHEMBL598626 0.73 ACHE (0.58) DRD2DRD3HTR1A
SCHEMBL17014302 0.73 HTR1A (0.50) DRD2DRD3HTR1A
SCHEMBL30563633 0.73 ACHE (0.58) DRD2DRD3HTR1A
SCHEMBL26962405 0.73 ACHE (0.58) DRD2DRD3HTR1A
Hydrochloric Acid SCHEMBL659578 0.72 ACHE (0.61) DRD2DRD3HTR1A

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
WO-2007085558-A1 USE OF 2-IMIDAZOLES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-02 WO disclosed