SCHEMBL4779741

SCHEMBL4779741

Oc1ccc(NC2=NCCN2)cc1

nearest known ligand 0.79

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 14/20 0.79
ADRA2B P18089 14/20 0.79
ADRA2C P18825 14/20 0.79
PTGIR P43119 5/20 0.59
ADRA1D P25100 1/20 0.58
ADRA1A P35348 1/20 0.58
ADRA1B P35368 1/20 0.58

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
SCHEMBL4690804 0.91 ADRA2A (0.85) ADRA2AADRA2BADRA2CPTGIR
SCHEMBL13017287 0.81 ADRA2A (0.79) ADRA2AADRA2BADRA2CPTGIRADRA1D
SCHEMBL13024513 0.81 ADRA2A (0.79) ADRA2AADRA2BADRA2CPTGIRADRA1D
SCHEMBL11248135 0.81 PTGIR (0.82) ADRA2AADRA2BADRA2CPTGIRADRA1D
SCHEMBL13985246 0.81 ADRA2A (0.79) ADRA2AADRA2BADRA2CPTGIRADRA1D
SCHEMBL11180468 0.81 ADRA2A (0.85) ADRA2AADRA2BADRA2CPTGIRADRA1D
SCHEMBL13293426 0.81 ADRA2A (1.00) ADRA2AADRA2BADRA2CPTGIRADRA1D
SCHEMBL1036359 0.81 ADRA2A (0.78) ADRA2AADRA2BADRA2CPTGIRADRA1D
SCHEMBL5429353 0.81 ADRA2A (0.66) ADRA2AADRA2BADRA2CPTGIRADRA1D
SCHEMBL5657241 0.80 ADRA2A (0.60) ADRA2AADRA2BADRA2CPTGIR

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
US-7262223-B2 Amidine derivatives for treating amyloidosis NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2007-08-28 US disclosed