SCHEMBL7297464

SCHEMBL7297464

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 2/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
DAO P14920 3/20 0.37
NAMPT P43490 1/20 0.37
KDM4E B2RXH2 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MPO P05164 1/20 0.35
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
MAPT P10636 2/20 0.34
CCND3 P30281 1/20 0.34
CDK6 Q00534 1/20 0.34
HPSE Q9Y251 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ROCK2 O75116 1/20 0.33
LMNA P02545 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
SCHEMBL7296891 0.88 DAGLA (0.43) DAGLAPDE3BPDE3ADAONAMPT
SCHEMBL7297473 0.87 DAGLA (0.39) DAGLAPDE3BPDE3ADAONAMPT
SCHEMBL7288980 0.85 DAGLA (0.47) DAGLAPDE3BPDE3ADAONAMPT
SCHEMBL7296896 0.84 DAGLA (0.43) DAGLAPDE3BPDE3ADAONAMPT
SCHEMBL7355327 0.83 DAGLA (0.51) DAGLAPDE3BPDE3ADAONAMPT
SCHEMBL7289503 0.83 DAGLA (0.51) DAGLAPDE3BPDE3ADAONAMPT
SCHEMBL7288983 0.82 DAGLA (0.47) DAGLAPDE3BPDE3ADAONAMPT
SCHEMBL7352240 0.82 MPO (0.38) DAGLAPDE3BPDE3ADAONAMPT
SCHEMBL7359581 0.81 DAGLA (0.35) DAGLAPDE3BPDE3ADAONAMPT
SCHEMBL7359592 0.81 DAGLA (0.35) DAGLAPDE3BPDE3ADAONAMPT

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 7 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
EP-0382185-A2 Carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 EP disclosed