SCHEMBL7441173

SCHEMBL7441173

CNCC1CC(c2ccccc2)Cc2c1ccc(O)c2O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 5/20 0.57
ADRA2B P18089 5/20 0.57
ADRA2C P18825 5/20 0.57
ADRA1D P25100 4/20 0.57
ADRA1A P35348 4/20 0.57
ADRA1B P35368 4/20 0.57
DRD1 P21728 7/20 0.43
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HTR2C P28335 1/20 0.42
DRD2 P14416 1/20 0.39
DRD5 P21918 1/20 0.39
DRD3 P35462 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
SCHEMBL10380806 1.00 ADRA2A (0.57) ADRA2AADRA2BADRA2CADRA1DADRA1A
Hydrochloric Acid SCHEMBL7319965 0.99 ADRA2A (0.56) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL7444013 0.83 DRD1 (0.55) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL10380332 0.83 DRD1 (0.55) ADRA2AADRA2BADRA2CADRA1DADRA1A
Bromide SCHEMBL7446051 0.82 DRD1 (0.54) ADRA2AADRA2BADRA2CADRA1DADRA1A
Bromide SCHEMBL7312469 0.82 DRD1 (0.54) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL7441556 0.73 DRD1 (0.71) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL7440745 0.73 DRD1 (0.71) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL7450798 0.73 ADRA2A (0.49) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL27404639 0.73 ADRA2A (0.51) 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 7 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
EP-0474767-A4 DOPAMINE AGONISTS 1992-07-08 EP disclosed
EP-0474767-A1 DOPAMINE AGONISTS. ABBOTT LAB (US) 1992-03-18 EP disclosed