SCHEMBL7359592

SCHEMBL7359592

CC(C)(O)CC(=O)c1nc2cnccc2[nH]1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 2/20 0.34
LATS1 O95835 4/20 0.34
MPO P05164 1/20 0.34
NAMPT P43490 1/20 0.34
LATS2 Q9NRM7 3/20 0.33
DAO P14920 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
MAPT P10636 2/20 0.33
KDM4C Q9H3R0 2/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
PIN1 Q13526 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HRH4 Q9H3N8 1/20 0.32

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
SCHEMBL7359581 0.89 DAGLA (0.35) DAGLASMN1; SMN2KDM4ELATS1MPO
SCHEMBL7297473 0.81 DAGLA (0.39) DAGLASMN1; SMN2KDM4EMPONAMPT
SCHEMBL7297464 0.81 DAGLA (0.39) DAGLASMN1; SMN2KDM4EMPONAMPT
SCHEMBL7296896 0.78 DAGLA (0.43) DAGLASMN1; SMN2KDM4EMPONAMPT
SCHEMBL7296891 0.78 DAGLA (0.43) DAGLASMN1; SMN2KDM4EMPONAMPT
SCHEMBL7288980 0.76 DAGLA (0.47) DAGLASMN1; SMN2KDM4EMPONAMPT
SCHEMBL7288983 0.76 DAGLA (0.47) DAGLASMN1; SMN2KDM4EMPONAMPT
SCHEMBL7352240 0.76 MPO (0.38) DAGLASMN1; SMN2KDM4EMPONAMPT
SCHEMBL7352247 0.76 MPO (0.40) DAGLASMN1; SMN2KDM4ELATS1MPO
SCHEMBL19745275 0.74 SIRT3 (0.40) KDM4ENAMPTDAOPDE3BPDE3A

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