SCHEMBL6158876

SCHEMBL6158876

O=C(O)c1cccc(NC(=O)c2c(COC34CC5CC(CC(C5)C3)C4)nc(C3CCCCC3)n2O)c1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 2/20 0.64
CCKAR P32238 1/20 0.42
EPHX2 P34913 1/20 0.42
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
HIF1A Q16665 1/20 0.40
EPAS1 Q99814 1/20 0.40

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
SCHEMBL6159631 0.90 CCKBR (0.53) CCKBRCCKARMEN1RAB9AKMT2A
SCHEMBL6161329 0.84 CCKBR (0.55) CCKBREPHX2HIF1AEPAS1
SCHEMBL6160606 0.82 CCKBR (0.52) CCKBREPHX2HIF1AEPAS1
SCHEMBL6064529 0.82 CCKBR (0.59) CCKBREPHX2MEN1NPC1RAB9A
SCHEMBL6161342 0.81 CCKBR (0.51) CCKBREPHX2
SCHEMBL6064921 0.78 CCKBR (0.64) CCKBREPHX2MEN1NPC1RAB9A
SCHEMBL6160905 0.78 CCKBR (1.00) CCKBR
SCHEMBL6159682 0.78 CCKBR (1.00) CCKBR
SCHEMBL6065076 0.78 CCKBR (0.64) CCKBREPHX2MEN1NPC1RAB9A
SCHEMBL6160887 0.78 CCKBR (1.00) CCKBR

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 2 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