SCHEMBL15919863

SCHEMBL15919863

COc1ccc(NC(=S)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1

nearest known ligand 0.80

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.80
LMNA P02545 5/20 0.80
TDP1 Q9NUW8 2/20 0.80
SMN1; SMN2 Q16637 1/20 0.80
NPY2R P49146 2/20 0.77
ALDH1A1 P00352 8/20 0.73
GAA P10253 4/20 0.73
L3MBTL1 Q9Y468 2/20 0.70
MEN1 O00255 1/20 0.67
KMT2A Q03164 1/20 0.67
MGLL Q99685 1/20 0.64
HTT P42858 1/20 0.57
CACNA1G O43497 1/20 0.57
CACNA2D1 P54289 1/20 0.57
CACNA1B Q00975 1/20 0.57
CACNB1 Q02641 1/20 0.57
CACNA1C Q13936 1/20 0.57

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
SCHEMBL15919867 0.88 NPY2R (0.73) MAPTLMNATDP1SMN1; SMN2NPY2R
SCHEMBL15919866 0.87 NPY2R (1.00) MAPTLMNATDP1SMN1; SMN2NPY2R
SCHEMBL15919865 0.87 MGLL (0.72) MAPTLMNATDP1SMN1; SMN2NPY2R
SCHEMBL15919857 0.85 MAPT (0.70) MAPTLMNATDP1SMN1; SMN2NPY2R
SCHEMBL19357237 0.80 NPY2R (0.66) MAPTLMNATDP1SMN1; SMN2NPY2R
SCHEMBL9376860 0.79 MAPT (0.58) MAPTLMNATDP1SMN1; SMN2NPY2R
SCHEMBL15919891 0.78 NPY2R (0.81) MAPTLMNATDP1SMN1; SMN2NPY2R
SCHEMBL19357107 0.78 MGLL (1.00) MAPTLMNATDP1SMN1; SMN2NPY2R
SCHEMBL4750736 0.75 USP2 (0.81) MAPTLMNASMN1; SMN2ALDH1A1GAA
SCHEMBL31350799 0.75 CACNA2D1 (0.74) MAPTLMNASMN1; SMN2ALDH1A1GAA

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