SCHEMBL9736552

SCHEMBL9736552

CN(C)CCCN(C(=O)c1ccc(Cl)cc1)c1ccccc1SCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 6/20 0.62
GAA P10253 2/20 0.42
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TMEM97 Q5BJF2 3/20 0.41
SIGMAR1 Q99720 3/20 0.41
DRD2 P14416 1/20 0.40
TBXA2R P21731 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.39
UBE2N P61088 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
UTS2R Q9UKP6 1/20 0.39
PTPRG P23470 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL7290237 0.92 NPY2R (0.69) NPY2RSIGMAR1MEN1KMT2ANPC1
SCHEMBL7290591 0.88 NPY2R (0.61) NPY2RGAATP53MAPK1SMN1; SMN2
SCHEMBL7288694 0.88 NPY2R (0.61) NPY2RGAATP53MAPK1SMN1; SMN2
SCHEMBL9735019 0.87 NPY2R (0.62) NPY2RMEN1KMT2ANPC1UBE2N
SCHEMBL7288977 0.85 NPY2R (0.58) NPY2RMEN1KMT2ANPC1UBE2N
SCHEMBL7290248 0.83 NPY2R (0.69) NPY2RGAAMAPK1SMN1; SMN2KMT2A
Oxalic Acid SCHEMBL7291345 0.81 NPY2R (0.63) NPY2RSMN1; SMN2SIGMAR1KMT2AL3MBTL1
SCHEMBL7297873 0.80 NPY2R (0.67) NPY2RGAATP53MAPK1SMN1; SMN2
SCHEMBL7290404 0.78 NPY2R (0.65) NPY2RGAATP53MAPK1KMT2A
SCHEMBL7290625 0.76 NPY2R (0.62) NPY2RGAAMAPK1SMN1; SMN2NPSR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5116851-A Administering antiischemic and antiarrhythmia agents E. R. SQUIBB & SONS, INC. (US) 1992-05-26 US claimed
US-5116851-A Administering antiischemic and antiarrhythmia agents E. R. SQUIBB & SONS, INC. (US) 1992-05-26 US disclosed