SCHEMBL7363469

SCHEMBL7363469

CNCCc1ccc(OP(=O)(O)O)c(OP(=O)(O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
ATM Q13315 1/20 0.57
ADRA2A P08913 3/20 0.54
ADRA2C P18825 3/20 0.54
ADRA1A P35348 3/20 0.54
ADRB2 P07550 1/20 0.54
DRD2 P14416 1/20 0.54
DRD1 P21728 1/20 0.54
DRD3 P35462 1/20 0.54
INPPL1 O15357 5/20 0.49
INPP5A Q14642 3/20 0.49
MAPT P10636 2/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
MAPK1 P28482 1/20 0.47
THPO P40225 1/20 0.47
HIF1A Q16665 1/20 0.47

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
Fosopamine SCHEMBL828844 0.88 MAPT (0.57) POLBATMADRA2AADRA2CADRA1A
Fosopamine SCHEMBL30567798 0.88 MAPT (0.57) POLBATMADRA2AADRA2CADRA1A
SCHEMBL9159471 0.88 MAPT (0.57) POLBATMADRA2AADRA2CADRA1A
Fosopamine SCHEMBL9152610 0.87 MAPT (0.58) POLBATMADRA2AADRA2CADRA1A
SCHEMBL7368908 0.79 LMNA (0.46) ADRA2AADRA2CADRA1AADRB2DRD2
SCHEMBL7367716 0.79 INPPL1 (0.53) ATMADRA2AADRA1AADRB2DRD2
SCHEMBL25486427 0.76 MAPT (0.42) POLBATMADRA2AADRA2CADRA1A
SCHEMBL10604051 0.76 MAPT (0.53) POLBATMADRA2AADRA2CADRA1A
SCHEMBL9237628 0.75 DRD2 (0.51) ADRA1ADRD2DRD1DRD3TSHR
SCHEMBL9152005 0.74 S1PR2 (0.43) ADRB2DRD2DRD1DRD3INPPL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5438047-A Diphosphates of catecholamines and pharmaceutical compositions containing them ZAMBON GROUP S.P.A. (IT) 1995-08-01 US claimed
US-5438047-A Diphosphates of catecholamines and pharmaceutical compositions containing them ZAMBON GROUP S.P.A. (IT) 1995-08-01 US disclosed
EP-0607394-A1 DIPHOSPHATES OF CATECHOLAMINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ZAMBON GROUP S.p.A. (IT) 1994-07-27 EP disclosed
WO-1994003461-A1 DIPHOSPHATES OF CATECHOLAMINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ZAMBON GROUP S.P.A. (IT) 1994-02-17 WO disclosed