SCHEMBL8921133

SCHEMBL8921133

CN(C(N)=O)c1cccc(N(C(N)=O)C2CC(c3ccccc3)CC(c3ccccc3)N(NC(=O)CC(C)(C)C)C2=O)c1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 18/20 0.38
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM1A O60341 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31

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
SCHEMBL8922339 0.94 CCKBR (0.38) CCKBRLMNAHTTSMN1; SMN2
SCHEMBL8919614 0.91 CCKBR (0.38) CCKBRLMNAHTTSMN1; SMN2
SCHEMBL8920279 0.91 CCKBR (0.45) CCKBR
SCHEMBL8921471 0.91 CCKBR (0.45) CCKBR
SCHEMBL8920274 0.91 CCKBR (0.45) CCKBR
SCHEMBL8919265 0.90 CCKBR (0.38) CCKBR
SCHEMBL8923527 0.89 CCKBR (0.41) CCKBRLMNAHTTSMN1; SMN2
SCHEMBL8920580 0.89 CCKBR (0.37) CCKBRLMNAHTTSMN1; SMN2
SCHEMBL8921281 0.89 CCKBR (0.47) CCKBR
SCHEMBL8919398 0.89 GRIN2B (0.38) CCKBRSMN1; SMN2

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 3 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