SCHEMBL2479618

SCHEMBL2479618

CC(C)(C)C1CCC(c2ncc[nH]2)N1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 4/20 0.37
ADRA1A P35348 4/20 0.33
ADRA2A P08913 2/20 0.33

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
SCHEMBL2283562 0.76
SCHEMBL13275995 0.76
SCHEMBL6126636 0.73 GPR119 (0.38) ADRA1AADRA2A
SCHEMBL17363105 0.73 HTR2B (0.45) HTR2BADRA1AADRA2A
SCHEMBL6126637 0.73 GPR119 (0.38) ADRA1AADRA2A
SCHEMBL2476920 0.72
SCHEMBL10211001 0.72 GPR119 (0.37)
SCHEMBL17270437 0.71 HPGDS (0.44)
SCHEMBL15411793 0.71 HPGDS (0.40)
SCHEMBL1294318 0.70 HTR2B (0.36) HTR2BADRA1AADRA2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2575475-A1 INHIBITORS OF HCV NS5A Presidio Pharmaceuticals, Inc. (US) 2013-04-10 EP disclosed
WO-2011150243-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2011-12-01 WO disclosed
EP-2373167-A1 INHIBITORS OF HCV NS5A Presidio Pharmaceuticals, Inc. (US) 2011-10-12 EP disclosed
WO-2010065668-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2010-06-10 WO disclosed