SCHEMBL8923398

SCHEMBL8923398

COc1cccc(N(C(N)=O)C2CC(c3ccccc3)CC(Cc3ccccc3)N(CC(=O)OC(C)(C)C)C2=O)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 1/20 0.42
PLA2G5 P39877 1/20 0.42
CCKBR P32239 3/20 0.37
OPRM1 P35372 2/20 0.37
CETP P11597 2/20 0.37
ACHE P22303 1/20 0.36
GRIN2B Q13224 3/20 0.35
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
GRM2 Q14416 1/20 0.33
GRM3 Q14832 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 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
SCHEMBL8922067 0.91 PLA2G10 (0.43) PLA2G10PLA2G5CCKBRCETP
SCHEMBL8921199 0.90 PLA2G10 (0.42) PLA2G10PLA2G5CCKBRCETPMAPT
SCHEMBL8922606 0.90 CCKBR (0.40) PLA2G10PLA2G5CCKBROPRM1GRIN2B
SCHEMBL8920687 0.85 CCKBR (0.38) PLA2G10PLA2G5CCKBROPRM1ACHE
SCHEMBL8920743 0.83 RAMP1 (0.41) PLA2G10PLA2G5CCKBROPRM1ACHE
SCHEMBL8920178 0.80 CCKBR (0.46) PLA2G10PLA2G5CCKBR
SCHEMBL8923886 0.79 CCKBR (0.42) PLA2G10PLA2G5CCKBR
SCHEMBL8924391 0.79 CCKBR (0.39) PLA2G10PLA2G5CCKBRSMN1; SMN2MAPT
SCHEMBL8921138 0.79 PLA2G10 (0.45) PLA2G10PLA2G5CCKBRMAPT
SCHEMBL8923399 0.79 CCKBR (0.56) CCKBRGRIN2B

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