SCHEMBL9039121

SCHEMBL9039121

NCC1CC(C2CCCCC2)Cc2c1ccc(O)c2O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.57
ADRA2B P18089 3/20 0.57
ADRA2C P18825 3/20 0.57
ADRA1D P25100 1/20 0.57
ADRA1A P35348 1/20 0.57
ADRA1B P35368 1/20 0.57
DRD1 P21728 10/20 0.57
HTR2C P28335 2/20 0.43
SLC6A3 Q01959 2/20 0.43
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
DRD2 P14416 1/20 0.41
HPGD P15428 1/20 0.41
NFKB1 P19838 1/20 0.41

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
SCHEMBL8904492 1.00 ADRA2A (0.57) ADRA2AADRA2BADRA2CADRA1DADRA1A
Bromide SCHEMBL7309876 0.99 DRD1 (0.56) ADRA2AADRA2BADRA2CADRA1DADRA1A
Bromide SCHEMBL9038836 0.99 DRD1 (0.56) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9669172 0.74 ADRA2A (0.81) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL8902336 0.74 ADRA2A (0.81) ADRA2AADRA2BADRA2CADRA1DADRA1A
Bromide SCHEMBL7508700 0.73 ADRA2A (0.78) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL7447221 0.73 DRD1 (1.00) ADRA2AADRA2BADRA2CDRD1HTR2C
SCHEMBL9038117 0.73 DRD1 (1.00) ADRA2AADRA2BADRA2CDRD1HTR2C
SCHEMBL10380336 0.73 DRD1 (1.00) ADRA2AADRA2BADRA2CDRD1HTR2C
SCHEMBL10380050 0.73 DRD1 (1.00) ADRA2AADRA2BADRA2CDRD1HTR2C

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0474767-B1 DOPAMINE AGONISTS ABBOTT LAB (US) 1996-02-21 EP claimed
EP-0474767-A4 DOPAMINE AGONISTS 1992-07-08 EP claimed
EP-0474767-A1 DOPAMINE AGONISTS. ABBOTT LAB (US) 1992-03-18 EP claimed
EP-0474767-B1 DOPAMINE AGONISTS ABBOTT LAB (US) 1996-02-21 EP disclosed
EP-0474767-A4 DOPAMINE AGONISTS 1992-07-08 EP disclosed
EP-0474767-A1 DOPAMINE AGONISTS. ABBOTT LAB (US) 1992-03-18 EP disclosed