SCHEMBL8921138

SCHEMBL8921138

Cc1cccc(N(C(N)=O)C2CCCC(Cc3ccccc3)N(CC(=O)OC(C)(C)C)C2=O)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 1/20 0.45
PLA2G5 P39877 1/20 0.45
CCKBR P32239 2/20 0.37
DPP4 P27487 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 3/20 0.34
ALDH1A1 P00352 2/20 0.34
PKM P14618 1/20 0.34
ALOX15 P16050 1/20 0.34
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NR1H2 P55055 2/20 0.33
NR1H3 Q13133 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RAMP1 O60894 1/20 0.33
CALCRL Q16602 1/20 0.33

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
SCHEMBL8920349 0.88 RAMP1 (0.42) PLA2G10PLA2G5CCKBRMEN1KMT2A
SCHEMBL8922067 0.88 PLA2G10 (0.43) PLA2G10PLA2G5CCKBRDPP4ALOX15
SCHEMBL8920807 0.84 CCKBR (0.37) PLA2G10PLA2G5CCKBRMEN1KMT2A
SCHEMBL8919489 0.84 L3MBTL1 (0.37) PLA2G10PLA2G5CCKBRMEN1KMT2A
SCHEMBL8924391 0.80 CCKBR (0.39) PLA2G10PLA2G5CCKBRKMT2AMAPT
SCHEMBL8920178 0.80 CCKBR (0.46) PLA2G10PLA2G5CCKBR
SCHEMBL8921199 0.79 PLA2G10 (0.42) PLA2G10PLA2G5CCKBRMAPTALDH1A1
SCHEMBL8921722 0.79 RAMP1 (0.41) PLA2G10PLA2G5CCKBRMAPTRAMP1
SCHEMBL8923398 0.79 PLA2G10 (0.42) PLA2G10PLA2G5CCKBRMAPT
SCHEMBL8920820 0.79 CCKBR (0.40) PLA2G10PLA2G5CCKBRKMT2AMAPT

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
WO-1993015059-A1 3-PHENYLUREIDO-AZEPIN-2-ONES AND -BENZAZEPIN-2-ONES USEFUL AS CHOLECYSTOKININ ANTAGONISTS PFIZER INC. (US) 1993-08-05 WO disclosed