SCHEMBL4684334

SCHEMBL4684334

[O]CCCCCCc1ncc[nH]1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.64
TERT O14746 1/20 0.50
ALOX15 P16050 1/20 0.41
TAAR1 Q96RJ0 9/20 0.41
FDPS P14324 1/20 0.40
HTR1A P08908 1/20 0.39
HRH4 Q9H3N8 1/20 0.34
NAMPT P43490 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33

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
SCHEMBL3958988 0.98 TBXAS1 (0.61) TBXAS1TERTALOX15TAAR1FDPS
SCHEMBL2007451 0.92
SCHEMBL28062565 0.89 TBXAS1 (0.69) TBXAS1TERTALOX15TAAR1FDPS
SCHEMBL503743 0.89 TBXAS1 (0.69) TBXAS1TERTALOX15TAAR1FDPS
SCHEMBL3431746 0.87 TBXAS1 (0.66) TBXAS1TERTALOX15TAAR1FDPS
SCHEMBL839759 0.83
SCHEMBL9777191 0.83 TBXAS1 (0.60) TBXAS1TERTALOX15TAAR1FDPS
SCHEMBL73945 0.80 TBXAS1 (0.59) TBXAS1TERTALOX15TAAR1HTR1A
SCHEMBL64393 0.80 TBXAS1 (0.59) TBXAS1TERTALOX15TAAR1HTR1A
SCHEMBL4684337 0.80 TBXAS1 (0.64) TBXAS1TERTALOX15TAAR1FDPS

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
US-5753644-A Vasopressin antagonist and oxytocin antagonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US disclosed
US-5677299-A VASOPRESSIN OR OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1997-10-14 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-5498609-A Benzoazepinyl compounds as oxytocin and vasopressin antagonists OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1996-03-12 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
EP-0612319-A1 BENZOHETEROCYCLIC COMPOUNDS AS OXYTOCIN AND VASOPRESSIN ANTAGONISTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-08-31 EP disclosed
CN-1090576-A Benzoheterocyclic compounds OTSUKA PHARMA CO LTD (JP) 1994-08-10 CN disclosed
WO-1994004525-A1 BENZOHETEROCYCLIC COMPOUNDS AS OXYTOCIN AND VASOPRESSIN ANTAGONISTS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-03-03 WO disclosed