SCHEMBL4701138

SCHEMBL4701138

CC(C)S(=O)(=O)NC1CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.39
KDM1A O60341 1/20 0.37
GRIA2 P42262 10/20 0.36
GRIA4 P48058 4/20 0.36
CA12 O43570 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
GABRA1 P14867 1/20 0.35
TSHR P16473 1/20 0.35
GABRG2 P18507 1/20 0.35
NFKB1 P19838 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRA6 Q16445 1/20 0.35
POLB P06746 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
Hydrochloric Acid SCHEMBL998147 0.98 EPHX1 (0.38) EPHX1KDM1AGRIA2GRIA4CA12
SCHEMBL13450369 0.84 CA12 (0.50) GRIA2GRIA4CA12CA7CA14
SCHEMBL8223048 0.80 CA12 (0.52) GRIA2GRIA4CA12CA7CA14
SCHEMBL18234121 0.80 CA12 (0.46) GRIA2GRIA4CA12CA7CA14
SCHEMBL19426061 0.78 CA1 (0.56) GRIA4CA12CA7CA14LMNA
SCHEMBL19426058 0.78 CA1 (0.56) GRIA4CA12CA7CA14LMNA
SCHEMBL8266613 0.78 CA1 (0.56) GRIA4CA12CA7CA14LMNA
SCHEMBL4413910 0.77 APLNR (0.39) KDM1AGRIA2GRIA4
SCHEMBL24695492 0.76 GRIA2 (0.33) GRIA2GRIA4CYP1A2
SCHEMBL297676 0.76 EPHX1 (0.43) EPHX1CA12CA7CA14LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2014285-B1 NPYY5 antagonists SHIONOGI & CO (JP) 2010-05-05 EP disclosed
EP-1249233-B9 NPYY5 ANTAGONISTS SHIONOGI & CO (JP) 2009-08-05 EP disclosed
EP-2014285-A1 NPYY5 antagonists Shionogi&Co., Ltd. (JP) 2009-01-14 EP disclosed
EP-1973918-A2 DERIVATIVES OF BETA-AMINO ACID AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS RANBAXY LABORATORIES, LTD. (IN) 2008-10-01 EP disclosed
EP-1249233-B1 NPYY5 ANTAGONISTS SHIONOGI & CO (JP) 2008-08-20 EP disclosed
WO-2007077508-A2 DERIVATIVES OF BETA-AMINO ACID AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2007-07-12 WO disclosed