SCHEMBL1646776

SCHEMBL1646776

CC(C)(C)[C@]1(c2nc3cc(Br)c(F)cc3[nH]2)CCCN1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 19/20 0.52
HCRTR2 O43614 19/20 0.52
EGLN1 Q9GZT9 1/20 0.42

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
SCHEMBL934566 0.79 HCRTR1 (0.37) HCRTR1HCRTR2
SCHEMBL1293968 0.78 HCRTR1 (0.41) HCRTR1HCRTR2
SCHEMBL17938124 0.76 ALDH1A1 (0.42) HCRTR1HCRTR2
SCHEMBL17938125 0.76 ALDH1A1 (0.42) HCRTR1HCRTR2
SCHEMBL21612081 0.75 EGLN1 (0.43) HCRTR1HCRTR2EGLN1
SCHEMBL16766291 0.75 CDC7 (0.33) HCRTR1HCRTR2
SCHEMBL16766249 0.75 CDC7 (0.33) HCRTR1HCRTR2
SCHEMBL1914704 0.74 HCRTR1 (0.31) HCRTR1HCRTR2
SCHEMBL2193248 0.74 HCRTR1 (0.36) HCRTR1HCRTR2
SCHEMBL934131 0.74 HCRTR1 (0.36) 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-2011050146-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-04-28 WO disclosed