SCHEMBL15920320

SCHEMBL15920320

CC(C)c1cc(C(=O)Nc2ccc(N3CCC(C(O)(c4ccccc4)c4ccccc4)CC3)c(C#N)c2)no1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 6/20 0.53
SMN1; SMN2 Q16637 10/20 0.48
NPC1 O15118 3/20 0.43
TP53 P04637 3/20 0.43
RAB9A P51151 3/20 0.43
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
MAPT P10636 1/20 0.43
RAF1 P04049 1/20 0.43
BRAF P15056 1/20 0.43
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
SCD O00767 1/20 0.42
SCD5 Q86SK9 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
SCHEMBL15920322 0.90 NPY2R (0.49) NPY2RSMN1; SMN2NPC1TP53RAB9A
SCHEMBL15920088 0.84 NPY2R (0.53) NPY2RSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL15919734 0.83 NPY2R (0.54) NPY2RMAPTALDH1A1MEN1CYP2C19
SCHEMBL15920126 0.82 NPY2R (0.54) NPY2RSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL15920119 0.82 NPY2R (0.52) NPY2RMAPTALDH1A1MEN1KMT2A
SCHEMBL15920124 0.81 NPY2R (0.53) NPY2R
SCHEMBL15920211 0.80 NPY2R (0.63) NPY2R
SCHEMBL15920081 0.80 NPY2R (0.48) NPY2RSMN1; SMN2MAPTALDH1A1GAA
SCHEMBL15920226 0.80 NPY2R (0.53) NPY2RMEN1CYP2C19KMT2A
SCHEMBL15920228 0.79 NPY2R (0.54) NPY2RSMN1; SMN2MAPTALDH1A1MEN1

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