SCHEMBL16499504

SCHEMBL16499504

O=C(O)N1CCC[C@H]1c1nc2cc(-c3ccc(Br)cn3)ccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.47
HCRTR2 O43614 20/20 0.47

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
SCHEMBL16498832 0.89 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL16499174 0.89 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL16499547 0.89 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL16498998 0.87 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL16511384 0.87 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL20539852 0.86 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL16499089 0.86 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL16927259 0.86 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL1293678 0.86 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL16499205 0.82 HCRTR1 (0.46) 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-2011154871-A1 HEPATITIS C VIRUS INHIBITORS PFIZER LIMITED (GB) 2011-12-15 WO disclosed