SCHEMBL11047792

SCHEMBL11047792

c1ccc(Cn2ncc3cccc(NC4=NCCN4)c32)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 12/20 0.52
ADRA2B P18089 5/20 0.47
ADRA2C P18825 5/20 0.47
ADRA1A P35348 3/20 0.46
ADRA1D P25100 2/20 0.46
ADRA1B P35368 2/20 0.46
HTR7 P34969 1/20 0.46
RECQL P46063 1/20 0.43
MEN1 O00255 1/20 0.41
SLC22A1 O15245 1/20 0.41
SLC22A3 O75751 1/20 0.41
LMNA P02545 1/20 0.41
HTR1A P08908 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HRH2 P25021 1/20 0.41
CYP2C19 P33261 1/20 0.41
OPRK1 P41145 1/20 0.41
KMT2A Q03164 1/20 0.41
HIF1A Q16665 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
SCHEMBL11046783 0.82 ADRA2A (0.47) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL11045568 0.77 ERBB2 (0.51) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL11044592 0.75 ADRA2A (0.46) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL11470958 0.74 ADRA2A (0.48) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL11040907 0.72 EGFR (0.43) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL11047780 0.70 ADRA2A (0.46) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL30357746 0.70 ADRA2A (0.62) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL1741683 0.70 ADRA2A (0.62) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL11167186 0.70 ADRA2A (0.61) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL11186791 0.69 ADRA2A (0.54) 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
US-4436913-A HYPOTENSIVE AGENTS SIEGFRIED AKTIENGESELLSCHAFT (CH) 1984-03-13 US claimed
WO-1982000824-A1 1H AND 2H INDAZOL DERIVATIVES AND MEDICAMENTS CONTAINING THEM GEISSMANN F 1982-03-18 WO disclosed