SCHEMBL12969780

SCHEMBL12969780

CC1(C)OB(c2ccc3nc([C@@H]4CCCN4C(=O)O)[nH]c3c2)OC1(C)C

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.46
HCRTR2 O43614 20/20 0.46

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
SCHEMBL750855 1.00 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL16499497 0.93 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL16499188 0.93 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL12295023 0.93 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL1293683 0.93 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL6126731 0.89 HCRTR1 (0.42) HCRTR1HCRTR2
Trifluoroacetic Acid SCHEMBL1294064 0.88 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL2707099 0.88 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL1293568 0.88 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL203117 0.88 HCRTR1 (0.44) HCRTR1HCRTR2

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-2012135581-A1 METHODS FOR TREATING DRUG-RESISTANT HEPATITIS C VIRUS INFECTION WITH A 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITOR IDENIX PHARMACEUTICALS, INC. (US) 2012-10-04 WO disclosed