SCHEMBL8664216

SCHEMBL8664216

CCN(CC)CCC1C(=O)C(NC(=O)Nc2ccccc2)[N+](=O)N(CCC(C)C)c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 11/20 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
SCHEMBL8662406 0.84 CCKBR (0.40) CCKBR
SCHEMBL8561703 0.77 CNR1 (0.42) CCKBR
SCHEMBL8664226 0.71 CCKBR (0.57) CCKBR
SCHEMBL8866205 0.69 CCKBR (0.51) CCKBR
SCHEMBL8559320 0.68 CCKBR (0.49) CCKBR
SCHEMBL7738117 0.67 CCKBR (0.47) CCKBR
SCHEMBL8651647 0.63 CCKBR (0.85) CCKBR
SCHEMBL8563328 0.63 CCKBR (0.49) CCKBR
SCHEMBL8558091 0.61 CCKBR (0.46) CCKBR
SCHEMBL8635376 0.60 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0710230-B1 1,5-BENZODIAZEPINE DERIVATIVES USEFUL AS CCK OR GASTRIN ANTAGONISTS GLAXO WELLCOME SPA (IT) 1998-09-16 EP claimed