SCHEMBL4792540

SCHEMBL4792540

CC(C)(C)c1nc(CCCc2ccccc2)cc(-c2ccc(NC3=NCCN3)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 13/20 0.43
ADRA2B P18089 11/20 0.43
ADRA2C P18825 11/20 0.43
PTGIR P43119 6/20 0.42
AOC3 Q16853 1/20 0.40
GPR65 Q8IYL9 1/20 0.38
HTR7 P34969 1/20 0.38
ADRA1A P35348 1/20 0.38

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
SCHEMBL4792493 0.81 PTH1R (0.42) ADRA2AADRA2BADRA2CPTGIRAOC3
SCHEMBL4906720 0.81 ADRA2A (0.41) ADRA2AADRA2BADRA2CPTGIRAOC3
SCHEMBL4792633 0.80 PTH1R (0.44) ADRA2AADRA2BADRA2CPTGIRAOC3
SCHEMBL4794483 0.80 PTH1R (0.44) ADRA2AADRA2BADRA2CPTGIRAOC3
SCHEMBL4795892 0.80 ADRA2A (0.41) ADRA2AADRA2BADRA2CPTGIRAOC3
SCHEMBL4881501 0.80 PTGIR (0.40) ADRA2AADRA2BADRA2CPTGIRAOC3
SCHEMBL4794906 0.79 ADRA2A (0.38) ADRA2AADRA2BADRA2CPTGIRAOC3
SCHEMBL4878946 0.79 ADRA2A (0.39) ADRA2AADRA2BADRA2CPTGIRAOC3
SCHEMBL4795965 0.79 ADRA2A (0.41) ADRA2AADRA2BADRA2CPTGIRAOC3
SCHEMBL4794147 0.79 PTGIR (0.40) 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 2 patents. 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
WO-2008009963-A2 PYRIMIDINE DERIVATIVES AS MODULATORS OF PARATHYROID HORMONE RECEPTORS JAMES BLACK FOUNDATION LIMITED (GB) 2008-01-24 WO disclosed