SCHEMBL4795892

SCHEMBL4795892

CCCCCCN(CCCCCC)c1nc(CCCc2ccccc2)cc(-c2ccc(NC3=NCCN3)cc2)n1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 11/20 0.41
ADRA2B P18089 10/20 0.41
ADRA2C P18825 10/20 0.41
PTGIR P43119 4/20 0.39
AOC3 Q16853 1/20 0.37
NISCH Q9Y2I1 1/20 0.37
GPR65 Q8IYL9 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
XBP1 P17861 1/20 0.35
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
IKBKB O14920 1/20 0.34
CHUK O15111 1/20 0.34

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
SCHEMBL4795965 0.92 ADRA2A (0.41) ADRA2AADRA2BADRA2CPTGIRAOC3
SCHEMBL4881501 0.84 PTGIR (0.40) ADRA2AADRA2BADRA2CPTGIRAOC3
SCHEMBL4878946 0.84 ADRA2A (0.39) ADRA2AADRA2BADRA2CPTGIRAOC3
SCHEMBL4906720 0.83 ADRA2A (0.41) ADRA2AADRA2BADRA2CPTGIRAOC3
SCHEMBL4795959 0.82 ADRA2A (0.39) ADRA2AADRA2BADRA2CPTGIRAOC3
SCHEMBL4792540 0.80 ADRA2A (0.43) ADRA2AADRA2BADRA2CPTGIRAOC3
SCHEMBL4796331 0.79 ADRA2A (0.37) ADRA2AADRA2BADRA2CPTGIRAOC3
SCHEMBL4792493 0.79 PTH1R (0.42) ADRA2AADRA2BADRA2CPTGIRAOC3
SCHEMBL4794483 0.78 PTH1R (0.44) ADRA2AADRA2BADRA2CPTGIRAOC3
SCHEMBL4792633 0.78 PTH1R (0.44) ADRA2AADRA2BADRA2CPTGIRAOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008009963-A2 PYRIMIDINE DERIVATIVES AS MODULATORS OF PARATHYROID HORMONE RECEPTORS JAMES BLACK FOUNDATION LIMITED (GB) 2008-01-24 WO disclosed