SCHEMBL8922636

SCHEMBL8922636

CC(C)(C)OC(=O)CN1C(=O)C(NC(=O)Nc2cccc(Cl)c2)CCCC1C1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 13/20 0.52
EPHX2 P34913 3/20 0.48
EPHX1 P07099 2/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
SIRT2 Q8IXJ6 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
NPY1R P25929 1/20 0.42

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
SCHEMBL8919495 0.91 CCKBR (0.61) CCKBRNPC1RAB9A
SCHEMBL8921394 0.90 CCKBR (0.52) CCKBREPHX2EPHX1MEN1NPC1
SCHEMBL8921167 0.89 CCKBR (0.62) CCKBRMEN1NPC1LMNARAB9A
SCHEMBL8975506 0.88 EPHX2 (0.51) CCKBREPHX2MEN1RAB9AKMT2A
SCHEMBL8921724 0.87 CCKBR (0.61) CCKBR
SCHEMBL8923589 0.85 CCKBR (0.47) CCKBREPHX2EPHX1MEN1NPC1
SCHEMBL8919295 0.84 CCKBR (0.48) CCKBREPHX2EPHX1MEN1NPC1
SCHEMBL9362147 0.81 CCKBR (0.48) CCKBREPHX2EPHX1MEN1NPC1
SCHEMBL9362777 0.81 CCKBR (0.49) CCKBREPHX2EPHX1MEN1NPC1
SCHEMBL8920813 0.80 CCKBR (0.61) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0625145-A1 3-PHENYLUREIDO-AZEPIN-2-ONES AND -BENZAZEPIN-2-ONES USEFUL AS CHOLECYSTOKININ ANTAGONISTS PFIZER INC. (US) 1994-11-23 EP claimed
WO-1993015059-A1 3-PHENYLUREIDO-AZEPIN-2-ONES AND -BENZAZEPIN-2-ONES USEFUL AS CHOLECYSTOKININ ANTAGONISTS PFIZER INC. (US) 1993-08-05 WO claimed
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