SCHEMBL7355337

SCHEMBL7355337

O=C(CCCCCCO)c1nc2cnccc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 4/20 0.51
FAAH O00519 2/20 0.37
NAMPT P43490 2/20 0.35
HDAC1 Q13547 3/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC3 O15379 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
LATS1 O95835 1/20 0.33
HPSE Q9Y251 1/20 0.33
DAO P14920 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
SCHEMBL7289513 1.00 DAGLA (0.51) DAGLAFAAHNAMPTHDAC1HDAC8
SCHEMBL7288983 0.94 DAGLA (0.47) DAGLAFAAHNAMPTKDM4ESMN1; SMN2
SCHEMBL7355327 0.89 DAGLA (0.51) DAGLAFAAHNAMPTHDAC1HDAC8
SCHEMBL7296896 0.89 DAGLA (0.43) DAGLANAMPTKDM4ESMN1; SMN2HPSE
SCHEMBL7296891 0.83 DAGLA (0.43) DAGLANAMPTKDM4ESMN1; SMN2HPSE
SCHEMBL7297473 0.83 DAGLA (0.39) DAGLANAMPTKDM4ESMN1; SMN2HPSE
SCHEMBL7297464 0.80 DAGLA (0.39) DAGLANAMPTKDM4ESMN1; SMN2HPSE
SCHEMBL7352247 0.75 MPO (0.40) DAGLANAMPTKDM4ESMN1; SMN2LATS1
SCHEMBL7359592 0.74 DAGLA (0.35) DAGLANAMPTKDM4ESMN1; SMN2LATS1
SCHEMBL7359581 0.74 DAGLA (0.35) DAGLANAMPTKDM4ESMN1; SMN2LATS1

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
US-5652247-A VASOPRESSIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD (JP) 1997-07-29 US disclosed
US-5436254-A Vaopressin antagonists OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) 1995-07-25 US disclosed
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP disclosed
EP-0382185-B1 Carbostyril derivatives OTSUKA PHARMA CO LTD (JP) 1994-06-15 EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed
US-5225402-A Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-06 US disclosed