SCHEMBL7985183

SCHEMBL7985183

O=C(O)c1cccc(C2=NCON2c2nc(C3CCCCC3)[nH]c2CCC23CC4CC(CC(C4)C2)C3)c1

nearest known ligand 0.58

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.46

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
SCHEMBL6332352 0.88 CCKBR (0.59) CCKBR
SCHEMBL6333174 0.82
SCHEMBL6330231 0.80 CCKBR (0.49) CCKBR
SCHEMBL7985180 0.78 CCKBR (0.46) CCKBR
SCHEMBL7985188 0.77 CCKBR (0.46) CCKBR
SCHEMBL6160269 0.74 CCKBR (0.77) CCKBR
SCHEMBL6161319 0.74 CCKBR (0.56) CCKBR
SCHEMBL6159832 0.74 CCKBR (0.77) CCKBR
SCHEMBL6159477 0.74 CCKBR (0.77) CCKBR
SCHEMBL6158220 0.73 CCKBR (0.76) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001085723-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS (II) JAMES BLACK FOUNDATION LIMITED (GB) 2001-11-15 WO disclosed