SCHEMBL8402103

SCHEMBL8402103

CCc1ccc2c(c1)N(CC(=O)NC1(C)CCCCC1)C(=O)C(N(C(N)=O)c1ccccc1-n1ncnn1)CC2c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 20/20 0.48

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
SCHEMBL8402177 0.92 CCKBR (0.48) CCKBR
SCHEMBL8401313 0.88 CCKBR (0.40) CCKBR
SCHEMBL8402097 0.80 CCKBR (0.38) CCKBR
SCHEMBL8402221 0.79 CCKBR (0.59) CCKBR
SCHEMBL8402076 0.78 CCKBR (0.60) CCKBR
SCHEMBL8922373 0.77 CCKBR (0.57) CCKBR
SCHEMBL8399272 0.77 CCKBR (0.37) CCKBR
SCHEMBL8919333 0.76 CCKBR (0.56) CCKBR
SCHEMBL8398473 0.72 CCKBR (0.32) CCKBR
SCHEMBL8921293 0.71 CCKBR (0.83) 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
EP-0711283-B1 TETRAHYDRO-1H-BENZAZEPINONES AND HEXAHYDROAZEPINONES AS SELECTIVE CHOLECYSTOKININ-B RECEPTOR ANTAGONISTS PFIZER (US) 1999-06-16 EP disclosed