SCHEMBL11470958

SCHEMBL11470958

c1ccc(Cn2nccc2NC2=NCCN2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 16/20 0.48
ADRA2B P18089 16/20 0.48
ADRA2C P18825 16/20 0.48
ADRA1D P25100 4/20 0.48
ADRA1A P35348 4/20 0.48
ADRA1B P35368 4/20 0.48
LMNA P02545 3/20 0.48
CYP2D6 P10635 2/20 0.48
MEN1 O00255 1/20 0.48
SLC22A1 O15245 1/20 0.48
SLC22A3 O75751 1/20 0.48
HTR1A P08908 1/20 0.48
CYP2C9 P11712 1/20 0.48
HRH2 P25021 1/20 0.48
CYP2C19 P33261 1/20 0.48
OPRK1 P41145 1/20 0.48
KMT2A Q03164 1/20 0.48
HIF1A Q16665 1/20 0.48
SLC47A1 Q96FL8 1/20 0.48
NISCH Q9Y2I1 1/20 0.48

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
Hydrochloric Acid SCHEMBL11471425 0.79 ADRA2A (0.45) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL11046783 0.77 ADRA2A (0.47) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL11470448 0.76 ADRA2A (0.48) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL11487984 0.75 ADRA2A (0.54) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL11047792 0.74 ADRA2A (0.52) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL11045568 0.74 ERBB2 (0.51) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL13017193 0.73 ADRA2A (0.88) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL1036359 0.72 ADRA2A (0.78) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL11469916 0.72 ADRA2A (0.51) ADRA2AADRA2BADRA2CADRA1DADRA1A
Hydrochloric Acid SCHEMBL11478276 0.71 ADRA2A (0.50) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4234594-A Pyrazolyl amino imidazolines as antihypertensive agents ABBOTT LABORATORIES (US) 1980-11-18 US disclosed
US-4226773-A Pyrazolyl amino imidazolines as diuretic agents ABBOTT LABORATORIES (US) 1980-10-07 US disclosed