SCHEMBL3658622

SCHEMBL3658622

c1cc(NC2=NCCN2)c2[nH]ncc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 9/20 0.52
ADRA2B P18089 8/20 0.52
ADRA2C P18825 8/20 0.52
ADRA1A P35348 6/20 0.52
ADRA1D P25100 5/20 0.52
ADRA1B P35368 5/20 0.52
HTR7 P34969 2/20 0.48
GLA P06280 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 2/20 0.47
MEN1 O00255 1/20 0.47
SLC22A1 O15245 1/20 0.47
SLC22A3 O75751 1/20 0.47
HTR1A P08908 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
HRH2 P25021 1/20 0.47
CYP2C19 P33261 1/20 0.47
OPRK1 P41145 1/20 0.47
KMT2A Q03164 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
SCHEMBL6968281 0.81 ADRA2A (0.58) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL8302677 0.81 ADRA2A (0.58) ADRA2AADRA2BADRA2CADRA1AADRA1D
Hydrochloric Acid SCHEMBL6977239 0.80 ADRA2A (0.56) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL11190493 0.78 ADRA2A (0.54) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL6964831 0.78 ADRA2A (0.45) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL3711758 0.77 ADRA2A (0.55) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL30357746 0.76 ADRA2A (0.62) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL1741683 0.76 ADRA2A (0.62) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL11577556 0.72 GLA (0.54) GLAL3MBTL1LMNAMEN1CYP2D6
SCHEMBL11181667 0.71 ADRA2A (0.56) ADRA2AADRA2BADRA2CADRA1AADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2227464-A1 DERIVATIVES OF 1-[(IMIDAZOLIDIN-2-YL)IMINO)]INDAZOLE Imperial Innovations Limited (GB) 2010-09-15 EP disclosed
WO-2009071906-A1 DERIVATIVES OF 1-[(IMIDAZOLIDIN-2-YL)IMINO)]INDAZOLE IMPERIAL INNOVATIONS LIMITED (GB) 2009-06-11 WO disclosed