SCHEMBL11219951

SCHEMBL11219951

CN(C)CC1Cc2c1ccc(O)c2O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 5/20 0.73
ADRA2B P18089 5/20 0.73
ADRA2C P18825 5/20 0.73
ADRA1D P25100 5/20 0.73
ADRA1A P35348 5/20 0.73
ADRA1B P35368 5/20 0.73
DRD1 P21728 1/20 0.42

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
Bromide SCHEMBL11216540 0.98 ADRA2A (0.71) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL11006316 0.85 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1DADRA1A
Bromide SCHEMBL11005474 0.83 ADRA2A (0.97) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL11214217 0.81 ADRA2A (0.76) ADRA2AADRA2BADRA2CADRA1DADRA1A
Hydrochloric Acid SCHEMBL11215555 0.80 ADRA2A (0.74) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL7445741 0.72 DRD1 (0.72) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL10920901 0.72 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL29597291 0.72 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL7451520 0.70 DRD1 (0.71) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL8829179 0.70 DRD1 (0.71) ADRA2AADRA2BADRA2CADRA1DADRA1A

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-0043194-A2 Bicyclo-octatriene derivatives, pharmaceutical compositions containing them and processes and intermediates for their production FISONS plc (GB) 1982-01-06 EP claimed