SCHEMBL7769115

SCHEMBL7769115

O=C(CCCCN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)NCCOC(=O)CCC(=O)OC1CC(=O)NC1=O

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.48
SIGMAR1 Q99720 7/20 0.42
HRH1 P35367 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL7776780 0.92 NPC1 (0.44) NPC1SIGMAR1HRH1HRH3L3MBTL1
SCHEMBL7773263 0.86 NPC1 (0.56) NPC1SIGMAR1HRH1HRH3L3MBTL1
SCHEMBL7813714 0.85 CYP2C19 (0.39) NPC1
SCHEMBL7028228 0.84 SIGMAR1 (0.46) SIGMAR1HRH1HRH3
SCHEMBL7769118 0.82 NPC1 (0.50) NPC1SIGMAR1HRH1HRH3L3MBTL1
SCHEMBL9301787 0.78 CYP2C19 (0.41)
SCHEMBL7803894 0.78 CYP2C19 (0.40)
SCHEMBL7773267 0.77 NPC1 (0.55) NPC1SIGMAR1HRH1HRH3POLB
SCHEMBL7775266 0.74 NPC1 (0.52) NPC1SIGMAR1HRH1HRH3POLB
SCHEMBL7775260 0.73 NPC1 (0.51) NPC1SIGMAR1HRH1HRH3POLB

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0517325-B1 Drug hapten analogues for immunoassays JOHNSON & JOHNSON CLIN DIAG (US) 2001-10-31 EP claimed
US-5284948-A Drug hapten analogues for immunoassays EASTMAN KODAK COMPANY (US) 1994-02-08 US claimed
EP-0517325-B1 Drug hapten analogues for immunoassays JOHNSON & JOHNSON CLIN DIAG (US) 2001-10-31 EP disclosed
EP-0517326-B1 Labeled drug hapten analogues for immunoassays JOHNSON & JOHNSON CLIN DIAG (US) 2001-08-16 EP disclosed
EP-0517327-B1 Immunoassay with labeled hapten analogues JOHNSON & JOHNSON CLIN DIAG (US) 2001-08-16 EP disclosed
US-5601994-A Immunoassay with novel labeled drug hapten analogues JOHNSON & JOHNSON CLINICAL DIAGNOSTICS, INC. (US) 1997-02-11 US disclosed
US-5298403-A Having hydantoin or barbiturate nucleus EASTMAN KODAK COMPANY (US) 1994-03-29 US disclosed
US-5284948-A Drug hapten analogues for immunoassays EASTMAN KODAK COMPANY (US) 1994-02-08 US disclosed
EP-0517326-A2 Labeled drug hapten analogues for immunoassays Johnson & Johnson Clinical Diagnostics, Inc. (US) 1992-12-09 EP disclosed
EP-0517327-A2 Immunoassay with labeled hapten analogues Johnson & Johnson Clinical Diagnostics, Inc. (US) 1992-12-09 EP disclosed
EP-0517325-A2 Drug hapten analogues for immunoassays Johnson & Johnson Clinical Diagnostics, Inc. (US) 1992-12-09 EP disclosed