SCHEMBL15919865

SCHEMBL15919865

S=C(Nc1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.72
MAPT P10636 4/20 0.70
NPY2R P49146 2/20 0.70
ALDH1A1 P00352 11/20 0.70
LMNA P02545 6/20 0.70
TDP1 Q9NUW8 2/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
GAA P10253 2/20 0.67
HTT P42858 2/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
KMT2A Q03164 3/20 0.64
MEN1 O00255 2/20 0.64
PKM P14618 1/20 0.62
POLB P06746 3/20 0.62
GLA P06280 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2C19 P33261 1/20 0.61
CNR1 P21554 1/20 0.60
CNR2 P34972 1/20 0.60

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
SCHEMBL15919863 0.87 MAPT (0.80) MGLLMAPTNPY2RALDH1A1LMNA
SCHEMBL19357237 0.87 NPY2R (0.66) MGLLMAPTNPY2RALDH1A1LMNA
SCHEMBL14119792 0.85 ALDH1A1 (0.82) MAPTALDH1A1LMNAGAAL3MBTL1
SCHEMBL19357107 0.85 MGLL (1.00) MGLLMAPTNPY2RALDH1A1LMNA
SCHEMBL15919867 0.85 NPY2R (0.73) MGLLMAPTNPY2RALDH1A1LMNA
SCHEMBL15919866 0.84 NPY2R (1.00) MGLLMAPTNPY2RALDH1A1LMNA
SCHEMBL7623077 0.81 ALDH1A1 (0.76) MAPTNPY2RALDH1A1LMNATDP1
SCHEMBL15920165 0.81 CACNA2D1 (0.68) MGLLMAPTALDH1A1HTTKMT2A
SCHEMBL11179944 0.78 ALDH1A1 (0.96) MAPTALDH1A1LMNATDP1SMN1; SMN2
SCHEMBL16227143 0.77 ALDH1A1 (0.73) MAPTALDH1A1LMNASMN1; SMN2GAA

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