SCHEMBL4685688

SCHEMBL4685688

[CH2]CCCC(O)CNC(C)C

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 5/20 0.37
ADRB1 P08588 5/20 0.37
CYP2D6 P10635 3/20 0.37
ADRB3 P13945 3/20 0.37
PTGS1 P23219 1/20 0.36
SLC6A2 P23975 1/20 0.36
MAPT P10636 1/20 0.34
SLC22A1 O15245 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
HTR1A P08908 1/20 0.34
HTR2A P28223 1/20 0.34
SLC6A4 P31645 1/20 0.34
ADRA1A P35348 1/20 0.34

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
SCHEMBL7352383 0.78 ADRB2 (0.37) ADRB2ADRB1CYP2D6ADRB3PTGS1
SCHEMBL10950174 0.77 GPR84 (0.52) LMNA
SCHEMBL10945464 0.77 GPR84 (0.52) LMNA
SCHEMBL10951609 0.77 GPR84 (0.52) LMNA
SCHEMBL10944896 0.77 GPR84 (0.52) LMNA
SCHEMBL10949074 0.77 GPR84 (0.52) LMNA
SCHEMBL7352376 0.77 ADRB2 (0.37) ADRB2ADRB1CYP2D6ADRB3PTGS1
SCHEMBL20670876 0.77 GPR84 (0.52) LMNA
SCHEMBL15509647 0.75 ADRB2 (0.47) ADRB2ADRB1CYP2D6ADRB3PTGS1
SCHEMBL11243062 0.75 ADRB2 (0.40) ADRB2ADRB1CYP2D6ADRB3PTGS1

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 20 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
US-5985869-A USEFUL AS VASODILATORS, HYPOTENSIVE AGENTS, WATER DIURETICS, PLATELET AGGLUTINATION INHIBITORS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1999-11-16 US 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-5753677-A Benzoheterocyclic compounds 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
US-5559230-A VASOPRESSIN ANTAGONISTS, QUINOLINES, BENZAZEPINES, VASODILATION, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-09-24 US disclosed
EP-0450097-B1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMA CO LTD (JP) 1996-04-24 EP disclosed
CN-1107146-A A process for preparing a composition containing benzoheterocycles OTSUKA PHARMA CO LTD (JP) 1995-08-23 CN disclosed
CN-1098716-A Vasopressin antagonists and oxytocin antagonists OTSUKA CHEMICAL CO LTD (JP) 1995-02-15 CN disclosed
CN-1027505-C Process for preparing benzoheterocyclic compounds OTSUKA PHARMA CO LTD (JP) 1995-01-25 CN disclosed
EP-0620003-A1 VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP disclosed
CN-1091288-A The oxytocin antagonist OTSUKA PHARMA CO LTD (JP) 1994-08-31 CN disclosed
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed
EP-0450097-A1 BENZOHETEROCYCLIC COMPOUNDS. OTSUKA PHARMA CO LTD (JP) 1991-10-09 EP disclosed
WO-1991005549-A1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-02 WO disclosed
CN-1051038-A BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMA CO LTD (JP) 1991-05-01 CN disclosed