SCHEMBL6161680

SCHEMBL6161680

O=C(OCc1ccccc1)c1cccc(NC(=O)c2nc([C@@H]3CC4C=C[C@H]3C4)[nH]c2COC23CC4CC(CC(C4)C2)C3)c1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.60
RAB9A P51151 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
SCHEMBL6161619 1.00 CCKBR (0.60) CCKBRRAB9A
SCHEMBL6163847 0.91 CCKBR (0.73) CCKBR
SCHEMBL6158051 0.91 CCKBR (0.73) CCKBR
SCHEMBL6160788 0.91 CCKBR (0.73) CCKBR
SCHEMBL6157953 0.91 CCKBR (0.73) CCKBR
SCHEMBL6160992 0.88 CCKBR (0.49) CCKBR
SCHEMBL6159825 0.88 CCKBR (0.49) CCKBR
SCHEMBL6159947 0.88 CCKBR (0.65) CCKBRRAB9A
SCHEMBL6158115 0.86 CCKBR (0.43) CCKBR
SCHEMBL6160216 0.86 CCKBR (0.43) 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