SCHEMBL7283307

SCHEMBL7283307

C#CC=CCC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.48
KDM4E B2RXH2 2/20 0.47
PKM P14618 1/20 0.47
RECQL P46063 1/20 0.46
EPHX1 P07099 1/20 0.46
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
PTPN2 P17706 1/20 0.45
PTPN1 P18031 1/20 0.45
PTPN6 P29350 1/20 0.45
GPR119 Q8TDV5 8/20 0.44
FAAH O00519 1/20 0.43
STS P08842 1/20 0.42

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
SCHEMBL7283305 1.00 HPGD (0.48) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL1772649 0.86 EPHX1 (0.46) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL1498949 0.86 EPHX1 (0.46) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL1772647 0.86 EPHX1 (0.46) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL10190477 0.83 HPGD (0.49) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL10154181 0.83 HPGD (0.49) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL7446544 0.82 FAAH (0.43) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL1186709 0.82 HPGD (0.48) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL12873541 0.82 HPGD (0.48) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL12873549 0.82 HPGD (0.48) HPGDKDM4EPKMRECQLEPHX1

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-0478363-B1 Novel sulfonamide fibrinogen receptor antagonists MERCK & CO INC (US) 1997-03-19 EP disclosed
EP-0743302-A2 Sulfonamide fibrinogen receptor antagonists MERCK & CO. INC. (US) 1996-11-20 EP disclosed
US-5294616-A Anticoagulants, inhibition of fibrinogen binding to blood platelets MERCK & CO., INC. (US) 1994-03-15 US disclosed
WO-1993019046-A1 NOVEL SULFONAMIDE FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1993-09-30 WO disclosed
EP-0478363-A2 Novel sulfonamide fibrinogen receptor antagonists MERCK & CO. INC. (US) 1992-04-01 EP disclosed