SCHEMBL7769149

SCHEMBL7769149

CCC1(c2ccccc2)C(=O)NC(=O)N(CCCCCNCCOC(=O)CCC(=O)O)C1=O

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.47
LMNA P02545 2/20 0.46
KMT2A Q03164 1/20 0.43
LTA4H P09960 5/20 0.39
ACHE P22303 4/20 0.34
FAAH O00519 1/20 0.34

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
SCHEMBL7769114 0.89 CYP2C19 (0.46) CYP2C19LMNAKMT2A
SCHEMBL8749863 0.82 CYP2C19 (0.61) CYP2C19LMNAKMT2AFAAH
SCHEMBL9622341 0.82 CYP2C19 (0.61) CYP2C19LMNAKMT2AFAAH
SCHEMBL7045940 0.82 CYP2C19 (0.61) CYP2C19LMNAKMT2AFAAH
SCHEMBL9621846 0.82 CYP2C19 (0.55) CYP2C19LMNAKMT2AFAAH
SCHEMBL7799794 0.81 CYP2C19 (0.62) CYP2C19LMNAKMT2AFAAH
SCHEMBL8838995 0.81 CYP2C19 (0.62) CYP2C19LMNAKMT2AFAAH
SCHEMBL7773269 0.80 CYP2C19 (0.50) CYP2C19LMNAKMT2A
SCHEMBL9507072 0.79 CYP2C19 (0.65) CYP2C19LMNAKMT2A
SCHEMBL9302983 0.79 SMN1; SMN2 (0.42) CYP2C19LMNAKMT2A

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

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