SCHEMBL7352240

SCHEMBL7352240

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
KDM4C Q9H3R0 5/20 0.34
DAGLA Q9Y4D2 2/20 0.34
NAMPT P43490 1/20 0.33
PDE10A Q9Y233 3/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM6B O15054 1/20 0.32
CCND3 P30281 1/20 0.32
CDK6 Q00534 1/20 0.32
DAO P14920 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
PIN1 Q13526 1/20 0.31

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
SCHEMBL7352247 0.90 MPO (0.40) MPOSMN1; SMN2KDM4EKDM4CDAGLA
SCHEMBL7297464 0.82 DAGLA (0.39) MPOSMN1; SMN2KDM4EDAGLANAMPT
SCHEMBL7296891 0.79 DAGLA (0.43) MPOSMN1; SMN2KDM4EDAGLANAMPT
SCHEMBL7297473 0.79 DAGLA (0.39) MPOSMN1; SMN2KDM4EDAGLANAMPT
SCHEMBL7288980 0.77 DAGLA (0.47) MPOSMN1; SMN2KDM4EDAGLANAMPT
SCHEMBL7297341 0.76 DAO (0.39) MPOSMN1; SMN2KDM4ENAMPTPDE10A
SCHEMBL7296896 0.76 DAGLA (0.43) MPOSMN1; SMN2KDM4EDAGLANAMPT
SCHEMBL7359592 0.76 DAGLA (0.35) MPOSMN1; SMN2KDM4EKDM4CDAGLA
SCHEMBL7359581 0.76 DAGLA (0.35) MPOSMN1; SMN2KDM4EKDM4CDAGLA
SCHEMBL7289503 0.75 DAGLA (0.51) SMN1; SMN2KDM4EDAGLANAMPTDAO

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