SCHEMBL15920089

SCHEMBL15920089

O=C(Nc1ccc(N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)c(C(F)(F)F)c1)C1CCOC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 5/20 0.51
TRPV1 Q8NER1 1/20 0.46
CYP2C9 P11712 1/20 0.45
MAPT P10636 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
EPHX2 P34913 2/20 0.43
SERPINE1 P05121 2/20 0.42
TP53 P04637 1/20 0.42
THRB P10828 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 3/20 0.42
NOTUM Q6P988 1/20 0.42
PIP5K1B O14986 1/20 0.41
PIP5K1C O60331 1/20 0.41
PIK3CA P42336 1/20 0.41
MAPK8 P45983 1/20 0.41
MAPK10 P53779 1/20 0.41
MAPK14 Q16539 1/20 0.41
PIP5K1A Q99755 1/20 0.41

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
SCHEMBL15920127 0.85 NPY2R (0.49) NPY2RMAPTMEN1KMT2AALDH1A1
SCHEMBL15920094 0.85 NPY2R (0.53) NPY2RTRPV1ALDH1A1HTTRECQL
SCHEMBL15920315 0.75 NPY2R (0.55) NPY2RCYP2C9MEN1KMT2ASERPINE1
SCHEMBL15920122 0.73 HPGD (0.58) NPY2RMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL13873647 0.72 NPY2R (0.75) NPY2RMAPTMEN1KMT2AALDH1A1
SCHEMBL13883824 0.70 NPY2R (0.61) NPY2RMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL8735896 0.70 NPY2R (0.73) NPY2RMAPTMEN1KMT2A
SCHEMBL13873608 0.70 NPY2R (0.73) NPY2RMAPTMEN1KMT2A
SCHEMBL8737920 0.70 NPY2R (0.60) NPY2RTRPV1MAPTMEN1KMT2A
SCHEMBL13890091 0.69 NPY2R (0.59) NPY2RMAPTMEN1KMT2AALDH1A1

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