SCHEMBL4686706

SCHEMBL4686706

[CH2]CCCCCc1nn[nH]n1

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.79
ALDH1A1 P00352 1/20 0.68
LMNA P02545 1/20 0.68
TBXAS1 P24557 5/20 0.49
CTH P32929 1/20 0.47
EPHX2 P34913 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
LTB4R Q15722 2/20 0.40
LTB4R2 Q9NPC1 1/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
TSHR P16473 1/20 0.37
NAALAD2 Q9Y3Q0 1/20 0.37
AMPD2 Q01433 1/20 0.36

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
SCHEMBL4682373 0.91
SCHEMBL28493931 0.82
SCHEMBL4682596 0.79 L3MBTL1 (0.79) L3MBTL1ALDH1A1LMNATBXAS1CTH
SCHEMBL14518629 0.79 L3MBTL1 (0.79) L3MBTL1ALDH1A1LMNATBXAS1CTH
SCHEMBL6000049 0.79 L3MBTL1 (0.79) L3MBTL1ALDH1A1LMNATBXAS1CTH
SCHEMBL20936411 0.79 L3MBTL1 (0.79) L3MBTL1ALDH1A1LMNATBXAS1CTH
SCHEMBL14029110 0.77 L3MBTL1 (0.75) L3MBTL1ALDH1A1LMNATBXAS1CTH
SCHEMBL4684100 0.77 L3MBTL1 (0.75) L3MBTL1ALDH1A1LMNATBXAS1CTH
SCHEMBL9986002 0.77 L3MBTL1 (0.79) L3MBTL1ALDH1A1LMNATBXAS1CTH
SCHEMBL1285985 0.75 L3MBTL1 (0.70) L3MBTL1ALDH1A1LMNATBXAS1CTH

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 5 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-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
EP-0620003-A1 VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP disclosed