SCHEMBL7775183

SCHEMBL7775183

CCC1(c2ccccc2)C(=O)NC(=O)N(CCCCC(=O)N2CCN(C(=O)CCC(=O)O)CC2)C1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.51
LMNA P02545 2/20 0.49
KMT2A Q03164 2/20 0.47
HTR1A P08908 1/20 0.41
HTR7 P34969 1/20 0.41
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MMP2 P08253 3/20 0.39
ADAMTS5 Q9UNA0 3/20 0.39
MMP13 P45452 2/20 0.39
MMP9 P14780 2/20 0.39
GAA P10253 1/20 0.39
MMP1 P03956 1/20 0.39
MMP8 P22894 1/20 0.39
ACHE P22303 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL7775187 0.90 CYP2C19 (0.51) CYP2C19LMNAKMT2AHTR1AHTR7
SCHEMBL9622341 0.88 CYP2C19 (0.61) CYP2C19LMNAKMT2AMMP2MMP9
SCHEMBL8749863 0.88 CYP2C19 (0.61) CYP2C19LMNAKMT2AMMP2MMP9
SCHEMBL7045940 0.88 CYP2C19 (0.61) CYP2C19LMNAKMT2AMMP2MMP9
SCHEMBL7813558 0.87 CYP2C19 (0.44) CYP2C19LMNAKMT2AHTR1AHTR7
SCHEMBL7799794 0.85 CYP2C19 (0.62) CYP2C19LMNAKMT2AMMP2MMP9
SCHEMBL8838995 0.85 CYP2C19 (0.62) CYP2C19LMNAKMT2AMMP2MMP9
SCHEMBL7524932 0.84 CYP2C19 (0.42) CYP2C19LMNAKMT2AMAPTMMP2
SCHEMBL7773269 0.83 CYP2C19 (0.50) CYP2C19LMNAKMT2AMAPTGAA
SCHEMBL9507072 0.82 CYP2C19 (0.65) CYP2C19LMNAKMT2AMMP2MMP9

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