SCHEMBL7452173

SCHEMBL7452173

CCCCCC1Cc2c(ccc(O)c2O)C(CNC)O1

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 15/20 0.73
ADRA2A P08913 2/20 0.54
ADRA2B P18089 2/20 0.54
ADRA2C P18825 2/20 0.54
ADRA1D P25100 2/20 0.54
ADRA1A P35348 2/20 0.54
ADRA1B P35368 2/20 0.54

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
SCHEMBL10380807 0.96 DRD1 (0.74) DRD1ADRA2AADRA2BADRA2CADRA1D
SCHEMBL10381345 0.96 DRD1 (0.74) DRD1ADRA2AADRA2BADRA2CADRA1D
SCHEMBL7450696 0.96 DRD1 (0.74) DRD1ADRA2AADRA2BADRA2CADRA1D
Hydrochloric Acid SCHEMBL8903330 0.95 DRD1 (0.72) DRD1ADRA2AADRA2BADRA2CADRA1D
SCHEMBL10380830 0.84 DRD1 (1.00) DRD1
SCHEMBL9039452 0.84 DRD1 (1.00) DRD1
SCHEMBL10379882 0.84 DRD1 (1.00) DRD1
SCHEMBL9042029 0.84 DRD1 (1.00) DRD1
Hydrochloric Acid SCHEMBL7320290 0.83 DRD1 (0.98) DRD1ADRA2AADRA2BADRA2CADRA1B
Hydrochloric Acid SCHEMBL7319554 0.83 DRD1 (0.98) DRD1ADRA2AADRA2BADRA2CADRA1B

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-1996038435-A1 DOPAMINE AGONISTS ABBOTT LABORATORIES (US) 1996-12-05 WO disclosed