SCHEMBL8884697

SCHEMBL8884697

CCCCCN(NCCc1ccc2[nH]c(=O)sc2c1)C1CCc2c(ccc(O)c2O)C1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.43
DRD1 P21728 1/20 0.43
ADRA1D P25100 5/20 0.39
ADRA1A P35348 5/20 0.39
ADRA1B P35368 5/20 0.39
DRD3 P35462 2/20 0.39
HTR1A P08908 2/20 0.38
HTR2C P28335 2/20 0.38

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
SCHEMBL8886570 0.99 DRD2 (0.43) DRD2DRD1ADRA1DADRA1AADRA1B
SCHEMBL8885993 0.99 DRD2 (0.43) DRD2DRD1ADRA1DADRA1AADRA1B
Bromide SCHEMBL8885601 0.98 DRD2 (0.42) DRD2DRD1ADRA1DADRA1AADRA1B
SCHEMBL8884391 0.94 DRD2 (0.42) DRD2DRD1ADRA1DADRA1AADRA1B
Bromide SCHEMBL8884224 0.93 DRD2 (0.42) DRD2DRD1ADRA1DADRA1AADRA1B
SCHEMBL8885003 0.90 DRD2 (0.49) DRD2DRD1DRD3HTR1A
Bromide SCHEMBL8884952 0.89 DRD2 (0.49) DRD2DRD1DRD3HTR1A
SCHEMBL8884370 0.87 DRD2 (0.45) DRD2DRD1ADRA1DADRA1AADRA1B
SCHEMBL8886844 0.86 DRD2 (0.43) DRD2DRD1ADRA1DADRA1AADRA1B
SCHEMBL8884899 0.84 DRD2 (0.43) DRD2DRD1ADRA1DADRA1AADRA1B

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
US-5674909-A FOR TREATMENT OF CARDIOVASCULAR DISORDERS ZAMBON GROUP (IT) 1997-10-07 US disclosed