SCHEMBL8921459

SCHEMBL8921459

CC(C)(C)CC(=O)NN1C(=O)C(N)CC(c2ccccc2)CC1c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 15/20 0.42
RIPK1 Q13546 4/20 0.37
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL8922676 0.95 CCKBR (0.47) CCKBR
SCHEMBL8922684 0.95 CCKBR (0.47) CCKBR
SCHEMBL8922196 0.94 CCKBR (0.46) CCKBRRIPK1HPGD
SCHEMBL8920522 0.94 CCKBR (0.42) CCKBRRIPK1
SCHEMBL8922189 0.94 CCKBR (0.46) CCKBRRIPK1HPGD
SCHEMBL8920531 0.94 CCKBR (0.42) CCKBRRIPK1
SCHEMBL8920112 0.92 CCKBR (0.38) CCKBRGAA
SCHEMBL8922522 0.91 CCKBR (0.51) CCKBRHPGD
SCHEMBL8922509 0.91 CCKBR (0.51) CCKBRHPGD
SCHEMBL8924399 0.90 CCKBR (0.49) CCKBRRIPK1

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 4 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
US-5484917-A FOR TREATMENT AND PREVENTION OF GASTROINTESTINAL DISORDERS, PAIN AND ANXIETY PFIZER INC. (US) 1996-01-16 US disclosed
EP-0625145-A1 3-PHENYLUREIDO-AZEPIN-2-ONES AND -BENZAZEPIN-2-ONES USEFUL AS CHOLECYSTOKININ ANTAGONISTS PFIZER INC. (US) 1994-11-23 EP 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