SCHEMBL15920119

SCHEMBL15920119

CC(C)(C)C(=O)Nc1ccc(N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)c(C#N)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 17/20 0.52
AR P10275 1/20 0.44
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 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
SCHEMBL15920228 0.85 NPY2R (0.54) NPY2RHTTRECQLNPSR1MEN1
SCHEMBL15920321 0.85 NPY2R (0.54) NPY2RHTTRECQLNPSR1MEN1
SCHEMBL15920324 0.85 NPY2R (0.48) NPY2RHTTRECQLNPSR1KDM4E
SCHEMBL15919734 0.85 NPY2R (0.54) NPY2RHTTRECQLNPSR1KDM4E
SCHEMBL15920126 0.85 NPY2R (0.54) NPY2RHTTRECQLNPSR1MEN1
SCHEMBL15920211 0.85 NPY2R (0.63) NPY2RHTTRECQLNPSR1
SCHEMBL15920122 0.84 HPGD (0.58) NPY2RHTTRECQLNPSR1KDM4E
SCHEMBL15920124 0.84 NPY2R (0.53) NPY2RHTTRECQLNPSR1
SCHEMBL15919732 0.83 NPY2R (0.48) NPY2RHTTRECQLNPSR1KDM4E
SCHEMBL15920322 0.82 NPY2R (0.49) NPY2RHTTNPSR1KDM4EMEN1

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-2014116684-A1 NON-PEPTIDIC NEUROPEPTIDE Y RECEPTOR MODULATORS ROBERTS EDWARD (US) 2014-07-31 WO disclosed