SCHEMBL7261071

SCHEMBL7261071

COC(=O)CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1nc(C)sc1-c1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.50
HCRTR2 O43614 13/20 0.50

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
SCHEMBL6640053 0.89 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL1777937 0.89 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL7262546 0.89 HCRTR1 (0.50) HCRTR1HCRTR2
SCHEMBL1778911 0.83 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL6679386 0.83 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL1777571 0.83 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL7257841 0.82 HCRTR1 (0.66) HCRTR1HCRTR2
SCHEMBL1256951 0.81 HCRTR1 (0.66) HCRTR1HCRTR2
SCHEMBL6680410 0.81 HCRTR1 (0.66) HCRTR1HCRTR2
SCHEMBL7262529 0.80 HCRTR1 (0.53) 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-2003051873-A1 PIPERAZINE COMPOUNDS AND THEIR PHAMACEUTICAL USE SMITHKLINE BEECHAM PLC (GB) 2003-06-26 WO disclosed