SCHEMBL7773267

SCHEMBL7773267

O=C(CCCCN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)NCCO

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.55
POLB P06746 2/20 0.53
CNR1 P21554 1/20 0.51
SIGMAR1 Q99720 3/20 0.51
HRH1 P35367 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
HTT P42858 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL7775266 0.88 NPC1 (0.52) NPC1POLBSIGMAR1HRH1HRH3
SCHEMBL7775260 0.87 NPC1 (0.51) NPC1POLBSIGMAR1HRH1HRH3
SCHEMBL7773263 0.84 NPC1 (0.56) NPC1POLBSIGMAR1HRH1HRH3
SCHEMBL7776766 0.82 HRH1 (0.60) POLBCNR1SIGMAR1HRH1HRH3
SCHEMBL7773254 0.82 NPC1 (0.48) NPC1POLBSIGMAR1ALDH1A1HTT
SCHEMBL7904117 0.81 SIGMAR1 (0.60) POLBCNR1SIGMAR1HRH1HRH3
SCHEMBL7776781 0.80 ALDH1A1 (0.48) NPC1POLBSIGMAR1HRH1HRH3
SCHEMBL9697267 0.80 POLB (0.56) NPC1POLBSIGMAR1HRH1HRH3
SCHEMBL7776791 0.79 CYP2C19 (0.52) KDM4EALDH1A1GAAHTT
SCHEMBL7769118 0.79 NPC1 (0.50) NPC1POLBSIGMAR1HRH1HRH3

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-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