SCHEMBL8924367

SCHEMBL8924367

CC(C)(C)OC(=O)CN1C(=O)C(N)CCCC1C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 2/20 0.36
PLA2G5 P39877 2/20 0.36
RIPK1 Q13546 2/20 0.33
RAMP1 O60894 3/20 0.33
CALCRL Q16602 3/20 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
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
HTT P42858 1/20 0.31
DPP7 Q9UHL4 1/20 0.30

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
SCHEMBL9515276 0.94 PLA2G10 (0.36) PLA2G10PLA2G5RAMP1CALCRLDPP7
SCHEMBL10792820 0.83 PLA2G10 (0.38) PLA2G10PLA2G5RAMP1CALCRLHTT
SCHEMBL10914477 0.83 PLA2G10 (0.38) PLA2G10PLA2G5RAMP1CALCRLHTT
SCHEMBL8921440 0.80 PLA2G10 (0.40) PLA2G10PLA2G5RIPK1RAMP1CALCRL
SCHEMBL7350198 0.78 ACE (0.36) DPP7
SCHEMBL10600817 0.78 ACE (0.36) DPP7
SCHEMBL7350203 0.78 ACE (0.36) DPP7
SCHEMBL13929747 0.78 RAMP1 (0.50) PLA2G10PLA2G5RIPK1RAMP1CALCRL
SCHEMBL8921216 0.78 RAMP1 (0.50) PLA2G10PLA2G5RIPK1RAMP1CALCRL
SCHEMBL10895110 0.78 PLA2G10 (0.43) PLA2G10PLA2G5PDE4APDE4BPDE4C

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