Sugi Predict

Sugi Predict / Compounds / SCHEMBL1647836

SCHEMBL1647836

SCHEMBL1647836

CC(C)(C)c1c(-c2ccc3[nH]c([C@@H]4CCCN4C(=O)O)nc3c2)ccc(-c2ccc3[nH]c([C@@H]4CCCN4C(=O)O)nc3c2)c1C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 14/20 0.47
▸ HCRTR2 O43614 14/20 0.47
▸ PRCP P42785 5/20 0.45

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
SCHEMBL16927259 0.87 HCRTR1 (0.51) HCRTR1HCRTR2PRCP
SCHEMBL13153949 0.82 HCRTR1 (0.44) HCRTR1HCRTR2PRCP
SCHEMBL16499547 0.81 HCRTR1 (0.51) HCRTR1HCRTR2PRCP
SCHEMBL12509692 0.79 HCRTR1 (0.46) HCRTR1HCRTR2PRCP
SCHEMBL1293678 0.79 HCRTR1 (0.51) HCRTR1HCRTR2PRCP
SCHEMBL1293584 0.79 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL6123433 0.79 HCRTR1 (0.47) HCRTR1HCRTR2PRCP
SCHEMBL20539852 0.79 HCRTR1 (0.54) HCRTR1HCRTR2PRCP
SCHEMBL16499089 0.79 HCRTR1 (0.54) HCRTR1HCRTR2PRCP
SCHEMBL9605020 0.78 PRCP (0.47) HCRTR1HCRTR2PRCP

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