SCHEMBL7773290

SCHEMBL7773290

O=C(CCCCN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)N1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.49
HRH1 P35367 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL7775252 0.84 HRH1 (0.56) SIGMAR1HRH1HRH3TDP1
SCHEMBL7773261 0.82 CYP2C19 (0.50) L3MBTL1MEN1KMT2ANPSR1
SCHEMBL7775256 0.82 HRH1 (0.56) SIGMAR1HRH1HRH3TDP1
SCHEMBL7773254 0.77 NPC1 (0.48) SIGMAR1L3MBTL1
SCHEMBL7028228 0.77 SIGMAR1 (0.46) SIGMAR1HRH1HRH3TDP1
SCHEMBL7776766 0.76 HRH1 (0.60) SIGMAR1HRH1HRH3TDP1
SCHEMBL5540430 0.74 L3MBTL1 (0.55) SIGMAR1HRH1HRH3L3MBTL1MEN1
SCHEMBL5537274 0.74 L3MBTL1 (0.58) SIGMAR1HRH1HRH3L3MBTL1MEN1
SCHEMBL31596932 0.74 SIGMAR1 (0.61) SIGMAR1L3MBTL1MEN1KMT2ANPSR1
SCHEMBL5536216 0.73 L3MBTL1 (0.60) L3MBTL1MEN1KMT2ANPSR1TDP1

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 9 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 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-0517325-A2 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