SCHEMBL6844110

SCHEMBL6844110

CC(=O)c1cc(Cl)c(NC2=NCCN2)c(Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 8/20 0.62
ADRA2B P18089 8/20 0.62
ADRA2C P18825 8/20 0.62
HTR1D P28221 4/20 0.62
ADRA1D P25100 3/20 0.62
ADRA1A P35348 3/20 0.62
ADRA1B P35368 3/20 0.62
CYP2D6 P10635 3/20 0.62
HTR1B P28222 3/20 0.62
NISCH Q9Y2I1 2/20 0.62
TSHR P16473 2/20 0.62
NFKB1 P19838 2/20 0.62
CYP1A2 P05177 1/20 0.62
HSD17B10 Q99714 1/20 0.62
LMNA P02545 4/20 0.61
BLM P54132 3/20 0.61
HIF1A Q16665 2/20 0.57
MEN1 O00255 1/20 0.57
SLC22A1 O15245 1/20 0.57
SLC22A3 O75751 1/20 0.57

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
SCHEMBL27281113 0.86 ADRA2A (0.67) ADRA2AADRA2BADRA2CHTR1DADRA1D
SCHEMBL8862674 0.83 ADRA2A (0.59) ADRA2AADRA2BADRA2CHTR1DADRA1D
SCHEMBL10748591 0.81 CFB (0.56) ADRA2AADRA2BADRA2CHTR1DADRA1D
SCHEMBL24658874 0.80 ADRA2A (0.71) ADRA2AADRA2BADRA2CHTR1DADRA1D
SCHEMBL10414088 0.80 ADRA2A (0.71) ADRA2AADRA2BADRA2CHTR1DADRA1D
SCHEMBL11180812 0.80 ADRA2A (0.76) ADRA2AADRA2BADRA2CHTR1DADRA1D
Bromide SCHEMBL11608848 0.79 ADRA2A (0.69) ADRA2AADRA2BADRA2CHTR1DADRA1D
SCHEMBL27277154 0.78 ADRA2C (0.56) ADRA2AADRA2BADRA2CHTR1DADRA1D
Pi-Clonidine SCHEMBL563884 0.77 ADRA2A (1.00) ADRA2AADRA2BADRA2CHTR1DADRA1D
Pi-Clonidine SCHEMBL5274141 0.76 LMNA (1.00) ADRA2AADRA2BADRA2CHTR1DADRA1D

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-20040208917-A1 Transdermal systems for the release of clonidine NOVOSIS AG (DE) 2004-10-21 US disclosed
WO-1988007995-A2 COMPOUNDS POSSESSING BETA-ANTAGONISTIC AND ALPHA-ANTAGONISTIC PROERTIES, SUITABLE FOR LOWERING THE INTRAORBITAL PRESSURE, PHARMACEUTICAL COMPOSITION CONTAINING THESE COMPOUNDS, UTILIZATION THEREOF LABORATOIRES ALCON S.A. (FR) 1988-10-20 WO disclosed