SCHEMBL7985180

SCHEMBL7985180

O=C(O)c1cccc(C2NCON2c2nc(C3CCCCC3)[nH]c2CCC23CC4CC(CC(C4)C2)C3)c1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.46
KMO O15229 1/20 0.39

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
SCHEMBL6332349 0.88 CCKBR (0.59) CCKBRKMO
SCHEMBL7985188 0.84 CCKBR (0.46) CCKBRKMO
SCHEMBL6333173 0.82
SCHEMBL6330226 0.80 CCKBR (0.49) CCKBR
SCHEMBL7985183 0.78 CCKBR (0.46) CCKBR
SCHEMBL6160269 0.74 CCKBR (0.77) CCKBR
SCHEMBL6159477 0.74 CCKBR (0.77) CCKBR
SCHEMBL6161319 0.74 CCKBR (0.56) CCKBR
SCHEMBL6159832 0.74 CCKBR (0.77) CCKBR
SCHEMBL6332353 0.73 CCKBR (0.59) CCKBRKMO

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