SCHEMBL4686641

SCHEMBL4686641

[CH2]OS(=O)(=O)c1ccc(CCCC)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
FFAR1 O14842 1/20 0.48
FFAR4 Q5NUL3 1/20 0.48
LMNA P02545 2/20 0.47
HTT P42858 2/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA9 Q16790 1/20 0.47
TSHR P16473 1/20 0.47
HPGD P15428 2/20 0.45
MLNR O43193 1/20 0.45
CNR2 P34972 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44

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
SCHEMBL4686647 0.84 CA2 (0.62) CA2SMN1; SMN2FFAR1FFAR4LMNA
SCHEMBL11888421 0.82 CA2 (0.61) CA2SMN1; SMN2FFAR1FFAR4LMNA
SCHEMBL4684653 0.81 CA2 (0.59) CA2SMN1; SMN2FFAR1FFAR4LMNA
SCHEMBL27572259 0.81 CA2 (0.59) CA2SMN1; SMN2FFAR1FFAR4LMNA
SCHEMBL7210396 0.79 CA2 (0.67) CA2SMN1; SMN2FFAR1FFAR4LMNA
SCHEMBL11887254 0.79 CA2 (0.57) CA2SMN1; SMN2FFAR1FFAR4LMNA
SCHEMBL4684658 0.79 CA2 (0.57) CA2SMN1; SMN2FFAR1FFAR4LMNA
SCHEMBL10791903 0.79 CA2 (0.71) CA2SMN1; SMN2FFAR1FFAR4LMNA
SCHEMBL2323376 0.79 CA2 (0.64) CA2SMN1; SMN2LMNAHTTCA12
SCHEMBL11589672 0.79 CA2 (0.64) CA2SMN1; SMN2LMNAHTTCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1902717-A2 Vasopressin antagonist and oxytocin antagonist Otsuka Pharmaceutical Company, Limited (JP) 2008-03-26 EP disclosed
EP-0620003-B1 VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST OTSUKA PHARMA CO LTD (JP) 2008-01-16 EP disclosed
CN-1306935-C Vasopressin antagonist and oxytocin antagonist OTASUKA PHARMACEUTICAL CO LTD (JP) 2007-03-28 CN disclosed
CN-1183277-A Vasopressin antagonist and oxytocin antagonist OTASUKA PHARMACEUTICAL CO LTD (JP) 1998-06-03 CN disclosed
US-5753644-A Vasopressin antagonist and oxytocin antagonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US disclosed
US-5622947-A VASODILATORS, HYPOTENSIVE AGENTS, DIURETICS, PLATELET AGGLUTINATION INHIBITORS; ALSO USED TO PREVENT PREMATURE BIRTH, TREAT DYSMENORRHEA OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-04-22 US disclosed
CN-1098716-A Vasopressin antagonists and oxytocin antagonists OTSUKA CHEMICAL CO LTD (JP) 1995-02-15 CN disclosed
EP-0620003-A1 VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP disclosed
US-5244898-A Vasopressin antagonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-09-14 US disclosed
CN-1066653-A BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMA CO LTD (JP) 1992-12-02 CN disclosed
EP-0514667-A1 Benzazepin derivatives as vasopressin antagonists OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-25 EP disclosed