SCHEMBL7773261

SCHEMBL7773261

CCC1(c2ccccc2)C(=O)NC(=O)N(CCCCC(=O)N2CCN(C(=O)OCc3ccccc3)CC2)C1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 1/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
MAPT P10636 3/20 0.43
GAA P10253 1/20 0.43
HSD17B10 Q99714 1/20 0.42
KMT2A Q03164 2/20 0.41
ADORA2B P29275 2/20 0.40
ADORA2A P29274 1/20 0.40
MEN1 O00255 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
USP2 O75604 1/20 0.40
CCR5 P51681 2/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 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
SCHEMBL7773290 0.82 SIGMAR1 (0.49) L3MBTL1KMT2AMEN1NPSR1
SCHEMBL7813558 0.81 CYP2C19 (0.44) CYP2C19LMNASMN1; SMN2GAAKMT2A
SCHEMBL8847302 0.77 CYP2C19 (0.44) CYP2C19LMNASMN1; SMN2MAPTGAA
SCHEMBL7799794 0.75 CYP2C19 (0.62) CYP2C19LMNAHSD17B10KMT2AMEN1
SCHEMBL7769133 0.72 LMNA (0.51) CYP2C19LMNASMN1; SMN2MAPTGAA
SCHEMBL21906828 0.71 L3MBTL1 (0.67) CYP2C19L3MBTL1LMNANPC1RAB9A
SCHEMBL5540430 0.71 L3MBTL1 (0.55) CYP2C19L3MBTL1LMNANPC1RAB9A
SCHEMBL5537274 0.70 L3MBTL1 (0.58) CYP2C19L3MBTL1LMNANPC1RAB9A
SCHEMBL31596932 0.70 SIGMAR1 (0.61) CYP2C19L3MBTL1LMNANPC1RAB9A
SCHEMBL15709327 0.70 L3MBTL1 (0.63) CYP2C19L3MBTL1NPC1RAB9ASMN1; SMN2

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