SCHEMBL7290404

SCHEMBL7290404

CCCCCC(=O)N(CCCN(C)C)c1ccccc1SCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 7/20 0.65
ALDH1A1 P00352 2/20 0.41
TP53 P04637 1/20 0.41
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
EPHX2 P34913 1/20 0.40
ALOX5 P09917 1/20 0.39
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
NPC1 O15118 1/20 0.38
JAK2 O60674 1/20 0.38
RAB9A P51151 1/20 0.38
PAX8 Q06710 1/20 0.38
BCHE P06276 2/20 0.38
ACHE P22303 2/20 0.38

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
SCHEMBL7297873 0.88 NPY2R (0.67) NPY2RTP53KMT2AALOX5GAA
SCHEMBL7290248 0.87 NPY2R (0.69) NPY2RALDH1A1KMT2AL3MBTL1GAA
Oxalic Acid SCHEMBL7291345 0.83 NPY2R (0.63) NPY2RALDH1A1KMT2AL3MBTL1MAPT
SCHEMBL7290237 0.82 NPY2R (0.69) NPY2RKMT2AL3MBTL1NPC1
SCHEMBL7288694 0.81 NPY2R (0.61) NPY2RALDH1A1TP53KMT2AL3MBTL1
SCHEMBL7290591 0.81 NPY2R (0.61) NPY2RALDH1A1TP53KMT2AL3MBTL1
SCHEMBL9736030 0.80 NPY2R (0.59) NPY2RALDH1A1KMT2AALOX5GAA
SCHEMBL7298617 0.80 NPY2R (0.59) NPY2RALDH1A1KMT2AALOX5GAA
SCHEMBL7288507 0.80 NPY2R (0.58) NPY2RALDH1A1KMT2AL3MBTL1ALOX5
Hydrochloric Acid SCHEMBL7291470 0.79 NPY2R (0.60) NPY2RALDH1A1KMT2AEPHX2GAA

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 disclosed
EP-0453658-A2 Use of substituted anilides and sulfonamides in the treatment of cardiovascular diseases E.R. SQUIBB & SONS, INC. (US) 1991-10-30 EP disclosed