SCHEMBL7289372

SCHEMBL7289372

COc1ccc(CSc2cc(Cl)ccc2N(CCCN(C)C)C(=O)Cc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 5/20 0.47
ALOX5 P09917 3/20 0.43
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
UTS2R Q9UKP6 1/20 0.40
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL7298617 0.89 NPY2R (0.59) NPY2RALOX5GAASMN1; SMN2MAPT
SCHEMBL9736030 0.89 NPY2R (0.59) NPY2RALOX5GAASMN1; SMN2MAPT
SCHEMBL7290591 0.85 NPY2R (0.61) NPY2RGAASMN1; SMN2TP53MAPK1
SCHEMBL7288694 0.85 NPY2R (0.61) NPY2RGAASMN1; SMN2TP53MAPK1
SCHEMBL7298449 0.82 NPY2R (0.50) NPY2RALOX5SMN1; SMN2MEN1KMT2A
SCHEMBL7290248 0.80 NPY2R (0.69) NPY2RGAASMN1; SMN2MAPK1MAPT
Oxalic Acid SCHEMBL7291345 0.76 NPY2R (0.63) NPY2RSMN1; SMN2MAPTL3MBTL1KMT2A
SCHEMBL9736552 0.74 NPY2R (0.62) NPY2RGAASMN1; SMN2TP53MAPK1
SCHEMBL7288507 0.73 NPY2R (0.58) NPY2RALOX5SMN1; SMN2L3MBTL1MEN1
SCHEMBL7297699 0.73 MEN1 (0.61) GAASMN1; SMN2TP53MAPK1MAPT

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 4 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
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 claimed
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