SCHEMBL752120

SCHEMBL752120

O=C(O)N1CCCC1c1nc2ccc(C#Cc3ccc(I)cc3)cc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 19/20 0.45
HCRTR2 O43614 19/20 0.45
USP30 Q70CQ3 1/20 0.43

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
SCHEMBL204514 0.87 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL2708016 0.87 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL17644204 0.86 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL750105 0.85 HCRTR1 (0.47) HCRTR1HCRTR2USP30
SCHEMBL15996266 0.83 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL13494179 0.83 HCRTR1 (0.42) HCRTR1HCRTR2
SCHEMBL6123433 0.82 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL2779196 0.81 HCRTR1 (0.48) HCRTR1HCRTR2
SCHEMBL2778769 0.81 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL2776986 0.80 HCRTR1 (0.45) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430014-A1 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2012-03-21 EP disclosed
WO-2010132601-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-11-18 WO disclosed