SCHEMBL8921440

SCHEMBL8921440

CC(C)(C)OC(=O)CN1C(=O)C(N)CC(c2ccccc2)CC1C1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 1/20 0.40
PLA2G5 P39877 1/20 0.40
RAMP1 O60894 3/20 0.39
CALCRL Q16602 3/20 0.39
SLC18A3 Q16572 1/20 0.37
CCKBR P32239 2/20 0.36
RIPK1 Q13546 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34

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
SCHEMBL8922260 0.85 PLA2G10 (0.39) PLA2G10PLA2G5RAMP1CALCRLSLC18A3
SCHEMBL8924459 0.84 PLA2G10 (0.44) PLA2G10PLA2G5RAMP1CALCRLCCKBR
SCHEMBL8920820 0.80 CCKBR (0.40) PLA2G10PLA2G5RAMP1CALCRLCCKBR
SCHEMBL8924367 0.80 PLA2G10 (0.36) PLA2G10PLA2G5RAMP1CALCRLRIPK1
SCHEMBL8920687 0.79 CCKBR (0.38) PLA2G10PLA2G5RAMP1CALCRLCCKBR
SCHEMBL8920826 0.78 CCKBR (0.61) CCKBR
SCHEMBL13929747 0.78 RAMP1 (0.50) PLA2G10PLA2G5RAMP1CALCRLRIPK1
SCHEMBL8921216 0.78 RAMP1 (0.50) PLA2G10PLA2G5RAMP1CALCRLRIPK1
SCHEMBL8920692 0.77 CCKBR (0.57) CCKBR
SCHEMBL9515276 0.76 PLA2G10 (0.36) PLA2G10PLA2G5RAMP1CALCRL

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