SCHEMBL15920126

SCHEMBL15920126

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 8/20 0.54
HTT P42858 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
RECQL P46063 1/20 0.48
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
MAPT P10636 2/20 0.43
CYP2D6 P10635 1/20 0.43
USP2 O75604 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
CYP1A2 P05177 1/20 0.42
GAA P10253 3/20 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 0.88 NPY2R (0.54) NPY2RHTTNPSR1RECQLALDH1A1
SCHEMBL15920124 0.86 NPY2R (0.53) NPY2RHTTNPSR1RECQL
SCHEMBL15919734 0.86 NPY2R (0.54) NPY2RHTTNPSR1RECQLALDH1A1
SCHEMBL15920211 0.85 NPY2R (0.63) NPY2RHTTNPSR1RECQL
SCHEMBL15920119 0.85 NPY2R (0.52) NPY2RHTTNPSR1RECQLALDH1A1
SCHEMBL15920321 0.84 NPY2R (0.54) NPY2RHTTNPSR1RECQLMEN1
SCHEMBL15920320 0.82 NPY2R (0.53) NPY2RALDH1A1MEN1KMT2ACYP2C19
SCHEMBL15919921 0.81 NPY2R (0.55) NPY2RHTTNPSR1RECQLALDH1A1
SCHEMBL15920122 0.81 HPGD (0.58) NPY2RHTTNPSR1RECQLALDH1A1
SCHEMBL15919732 0.80 NPY2R (0.48) NPY2RHTTNPSR1RECQLALDH1A1

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