SCHEMBL8921786

SCHEMBL8921786

CC(C)(C)NC(=O)CN1C(=O)C(N)CC(C2CCCCC2)c2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 17/20 0.62
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL8401026 0.87 CCKBR (0.64) CCKBR
SCHEMBL9542893 0.84 CCKBR (0.44) CCKBRGAASMN1; SMN2
SCHEMBL8398479 0.81 CCKBR (0.64) CCKBR
SCHEMBL8922725 0.80 CCKBR (0.78) CCKBR
SCHEMBL8922722 0.79 CCKBR (0.55) CCKBR
SCHEMBL8921951 0.79 CCKBR (0.51) CCKBRNPC1GAA
SCHEMBL8922380 0.78 CCKBR (0.66) CCKBR
SCHEMBL8919449 0.78 CCKBR (0.84) CCKBR
SCHEMBL6177647 0.78 CCKBR (0.43) CCKBRNPC1GAASMN1; SMN2
SCHEMBL8919215 0.77 CCKBR (0.67) 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 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