SCHEMBL8922628

SCHEMBL8922628

CC(C)(C)OC(=O)CN1C(=O)C(N(C(N)=O)c2cccc(Cl)c2)CCCC1C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 1/20 0.35
PLA2G5 P39877 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CCKBR P32239 4/20 0.33
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
CCR1 P32246 1/20 0.33
CCR2 P41597 1/20 0.33
TP53 P04637 2/20 0.33
MDM2 Q00987 2/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NR1H4 Q96RI1 1/20 0.32
GHSR Q92847 1/20 0.32

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
SCHEMBL8919489 0.90 L3MBTL1 (0.37) PLA2G10PLA2G5ALDH1A1CCKBRPDE4A
SCHEMBL8921392 0.90 PLA2G10 (0.35) PLA2G10PLA2G5ALDH1A1CCKBRTP53
SCHEMBL8921163 0.89 CCKBR (0.38) PLA2G10PLA2G5ALDH1A1CCKBRPDE4A
SCHEMBL8975503 0.88 CCR2 (0.36) PLA2G10PLA2G5ALDH1A1PDE4APDE4B
SCHEMBL8921722 0.87 RAMP1 (0.41) PLA2G10PLA2G5CCKBRTP53MDM2
SCHEMBL8923583 0.85 L3MBTL1 (0.32) ALDH1A1CCR1CCR2TP53MDM2
SCHEMBL8919291 0.83 CCKBR (0.32) ALDH1A1CCKBRCCR1CCR2L3MBTL1
SCHEMBL9362140 0.81 L3MBTL1 (0.33) ALDH1A1CCR1CCR2TP53MDM2
SCHEMBL9362772 0.80 HSD11B1 (0.36) ALDH1A1CCKBRL3MBTL1NR1H4
SCHEMBL8920807 0.80 CCKBR (0.37) PLA2G10PLA2G5ALDH1A1CCKBRL3MBTL1

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