SCHEMBL8302957

SCHEMBL8302957

N#Cc1ccc(N2CCN(CCC3CNc4cc(Cl)ccc43)CC2)c2c1OCCO2

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.38
HTR1A P08908 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
DRD3 P35462 1/20 0.36

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
SCHEMBL6589732 0.84 DRD2 (0.54) DRD2
Oxalic Acid SCHEMBL6773396 0.80 DRD2 (0.49) DRD2HTR1A
SCHEMBL6588462 0.79 DRD2 (0.54) DRD2
Oxalic Acid SCHEMBL6778343 0.74 DRD2 (0.49) DRD2HTR1A
SCHEMBL8302868 0.73 DRD2 (0.63) DRD2HTR1A
SCHEMBL9373232 0.73 DRD2 (0.56) DRD2HTR1A
SCHEMBL6591927 0.72
SCHEMBL7116093 0.69 DRD2 (0.46) DRD2HTR1ADRD3
SCHEMBL6592195 0.69 DRD2 (0.54) DRD2HTR1A
SCHEMBL4868382 0.69 DRD2 (0.42) DRD2DRD3

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-2004082686-A2 USE OF COMPOUNDS WITH COMBINED 5-HT1A AND SSRI ACTIVITIES TO TREAT SEXUAL DYSFUNCTION DYNOGEN PHARMACEUTICALS, INC. (US) 2004-09-30 WO disclosed