SCHEMBL9669172

SCHEMBL9669172

NCC1CCCc2c1ccc(O)c2O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.81
ADRA2B P18089 3/20 0.81
ADRA2C P18825 3/20 0.81
ADRA1D P25100 3/20 0.81
ADRA1A P35348 3/20 0.81
ADRA1B P35368 3/20 0.81
DRD1 P21728 3/20 0.51

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
SCHEMBL8902336 1.00 ADRA2A (0.81) ADRA2AADRA2BADRA2CADRA1DADRA1A
Bromide SCHEMBL7508700 0.98 ADRA2A (0.78) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL8816707 0.85 ADRA2A (0.58) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9549176 0.85 ADRA2A (0.58) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL8411065 0.77 ADRA2A (0.51) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL15824544 0.76 ADRA2A (0.47) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL15839876 0.75 KDM4C (0.46) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL21091917 0.74 ADRB2 (0.49) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL21091959 0.74 ADRB2 (0.49) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL8904492 0.74 ADRA2A (0.57) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0474767-A4 DOPAMINE AGONISTS 1992-07-08 EP disclosed
EP-0474767-A1 DOPAMINE AGONISTS. ABBOTT LAB (US) 1992-03-18 EP disclosed
WO-1990015056-A1 DOPAMINE AGONISTS ABBOTT LABORATORIES (US) 1990-12-13 WO disclosed