SCHEMBL8919582

SCHEMBL8919582

CC(C)(C)CC(=O)NN1C(=O)C(NC(=O)Nc2cccc([N+](=O)[O-])c2)CC(c2ccccc2)CC1c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 19/20 0.64

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
SCHEMBL8922711 0.88 CCKBR (0.60) CCKBR
SCHEMBL8919284 0.87 CCKBR (0.59) CCKBR
SCHEMBL8919644 0.87 CCKBR (0.59) CCKBR
SCHEMBL8920597 0.86 CCKBR (0.58) CCKBR
SCHEMBL8922367 0.85 CCKBR (0.57) CCKBR
SCHEMBL8923543 0.85 CCKBR (0.63) CCKBR
SCHEMBL8920615 0.85 CCKBR (0.57) CCKBR
SCHEMBL8920362 0.85 CCKBR (0.59) CCKBR
SCHEMBL8924523 0.84 CCKBR (0.57) CCKBR
SCHEMBL8922254 0.83 CCKBR (0.63) 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
US-5643904-A Substituted hexahdryoazepinones and tetrahydrobenzazepinones PFIZER INC. (US) 1997-07-01 US disclosed
WO-1993015059-A1 3-PHENYLUREIDO-AZEPIN-2-ONES AND -BENZAZEPIN-2-ONES USEFUL AS CHOLECYSTOKININ ANTAGONISTS PFIZER INC. (US) 1993-08-05 WO disclosed