SCHEMBL7775256

SCHEMBL7775256

O=C(CCCCN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)N1CCNCC1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.56
HRH3 Q9Y5N1 1/20 0.56
SIGMAR1 Q99720 9/20 0.56
TDP1 Q9NUW8 1/20 0.49
POLB P06746 1/20 0.49

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 0.89 HRH1 (0.56) HRH1HRH3SIGMAR1TDP1POLB
SCHEMBL7773290 0.82 SIGMAR1 (0.49) HRH1HRH3SIGMAR1TDP1
SCHEMBL7776766 0.81 HRH1 (0.60) HRH1HRH3SIGMAR1TDP1POLB
SCHEMBL7028231 0.81 SIGMAR1 (0.48) HRH1HRH3SIGMAR1TDP1POLB
SCHEMBL7904117 0.80 SIGMAR1 (0.60) HRH1HRH3SIGMAR1TDP1POLB
SCHEMBL7775187 0.80 CYP2C19 (0.51) TDP1POLB
SCHEMBL7028228 0.79 SIGMAR1 (0.46) HRH1HRH3SIGMAR1TDP1
SCHEMBL14524946 0.78 HRH1 (0.61) HRH1HRH3SIGMAR1TDP1POLB
SCHEMBL9697267 0.76 POLB (0.56) HRH1HRH3SIGMAR1TDP1POLB
SCHEMBL7773267 0.74 NPC1 (0.55) HRH1HRH3SIGMAR1TDP1POLB

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-0517327-B1 Immunoassay with labeled hapten analogues JOHNSON & JOHNSON CLIN DIAG (US) 2001-08-16 EP disclosed
EP-0517326-B1 Labeled drug hapten analogues for immunoassays 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