SCHEMBL15919899

SCHEMBL15919899

CCOc1ccc(NC(=S)N2CCN(C(C(=O)O)c3ccccc3)CC2)cc1

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 4/20 0.77
ALDH1A1 P00352 5/20 0.59
MAPT P10636 6/20 0.57
LMNA P02545 3/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
TSHR P16473 1/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
ALOX12 P18054 1/20 0.55
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
FAAH O00519 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
KDM4E B2RXH2 1/20 0.50
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL15919866 0.87 NPY2R (1.00) NPY2RALDH1A1MAPTLMNAL3MBTL1
SCHEMBL15920164 0.78 NPY2R (0.69) NPY2RALDH1A1MAPTLMNAL3MBTL1
SCHEMBL15919891 0.78 NPY2R (0.81) NPY2RALDH1A1MAPTLMNAL3MBTL1
SCHEMBL15920163 0.78 NPY2R (0.76) NPY2RMAPTMEN1KMT2ANPC1
SCHEMBL15919871 0.78 NPY2R (0.62) NPY2RALDH1A1MAPTLMNAL3MBTL1
SCHEMBL15919628 0.76 NPY2R (0.68) NPY2RALDH1A1MAPTLMNAL3MBTL1
SCHEMBL15919863 0.74 MAPT (0.80) NPY2RALDH1A1MAPTLMNAL3MBTL1
SCHEMBL15919864 0.73 ALDH1A1 (0.64) NPY2RALDH1A1MAPTLMNAL3MBTL1
SCHEMBL15919867 0.72 NPY2R (0.73) NPY2RALDH1A1MAPTLMNAL3MBTL1
SCHEMBL15919884 0.71 NPY2R (1.00) NPY2RLMNAMEN1KMT2AALOX12

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