SCHEMBL6158375

SCHEMBL6158375

O=C(O)c1nc(-c2ccccc2)[nH]c1CCC1CCCCCC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 3/20 0.49
RNASEH1 O60930 1/20 0.49
ERCC1 P07992 1/20 0.49
FEN1 P39748 1/20 0.49
ERCC4 Q92889 1/20 0.49
CYP1A2 P05177 1/20 0.49
MAPK1 P28482 1/20 0.49
CASP1 P29466 1/20 0.49
CYP2C19 P33261 1/20 0.49
BRS3 P32247 1/20 0.43
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MCL1 Q07820 1/20 0.42
MAPT P10636 1/20 0.41

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
SCHEMBL6161128 0.87 PIN1 (0.51) PIN1RNASEH1ERCC1FEN1ERCC4
SCHEMBL6159432 0.86 PIN1 (0.59) PIN1MAPT
SCHEMBL6159561 0.86 SLC9A1 (0.43) BRS3MCL1
SCHEMBL6159803 0.83
SCHEMBL6161614 0.83 BRS3 (0.41) BRS3MCL1
SCHEMBL6168668 0.82
SCHEMBL6160223 0.76 CCKBR (0.38) BRS3MCL1
SCHEMBL6160991 0.76 CHEK2 (0.41) PIN1
SCHEMBL7988608 0.75 PIN1 (0.55) PIN1RNASEH1ERCC1FEN1ERCC4
SCHEMBL6160385 0.74 CYP1A2 (0.48) PIN1CYP1A2MAPK1CASP1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1178969-B1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS BLACK JAMES FOUNDATION (GB) 2005-07-13 EP disclosed
US-6479531-B1 Gastrin and cholecystokinin receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 2002-11-12 US disclosed
EP-1178969-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2002-02-13 EP disclosed
WO-2000027823-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2000-05-18 WO disclosed