SCHEMBL7445215

SCHEMBL7445215

NCC1CC(c2cccc(O)c2)Cc2c1ccc(O)c2O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 14/20 0.58
ADRA2A P08913 1/20 0.50
ADRA2B P18089 1/20 0.50
ADRA2C P18825 1/20 0.50
ADRA1D P25100 1/20 0.50
ADRA1A P35348 1/20 0.50
ADRA1B P35368 1/20 0.50
KDM4E B2RXH2 2/20 0.46
TP53 P04637 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
MAPT P10636 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
MEN1 O00255 1/20 0.39

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
SCHEMBL10379973 1.00 DRD1 (0.58) DRD1ADRA2AADRA2BADRA2CADRA1D
Bromide SCHEMBL7320921 0.99 DRD1 (0.57) DRD1ADRA2AADRA2BADRA2CADRA1D
SCHEMBL7444013 0.88 DRD1 (0.55) DRD1ADRA2AADRA2BADRA2CADRA1D
SCHEMBL10380332 0.88 DRD1 (0.55) DRD1ADRA2AADRA2BADRA2CADRA1D
Bromide SCHEMBL7312469 0.87 DRD1 (0.54) DRD1ADRA2AADRA2BADRA2CADRA1D
Bromide SCHEMBL7446051 0.87 DRD1 (0.54) DRD1ADRA2AADRA2BADRA2CADRA1D
SCHEMBL27404639 0.81 ADRA2A (0.51) DRD1ADRA2AADRA2BADRA2CADRA1D
SCHEMBL9802420 0.76 DRD1 (0.41) DRD1ADRA2AADRA2BADRA2CADRA1D
SCHEMBL9037954 0.73 DRD1 (1.00) DRD1ADRA2AADRA2BADRA2CADRA1D
SCHEMBL10380152 0.73 DRD1 (1.00) DRD1ADRA2AADRA2BADRA2CADRA1D

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 5 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
WO-1996038435-A1 DOPAMINE AGONISTS ABBOTT LABORATORIES (US) 1996-12-05 WO disclosed
EP-0474767-B1 DOPAMINE AGONISTS ABBOTT LAB (US) 1996-02-21 EP disclosed