SCHEMBL8622432

SCHEMBL8622432

NC1C(=O)N(c2ccccc2)c2ccccc2N(C2C3CC4CC(C3)CC2C4)C1=O

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 11/20 0.59
EPHX2 P34913 1/20 0.45
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD11B1 P28845 1/20 0.37
HPGD P15428 1/20 0.34
FPR1 P21462 1/20 0.34
USP2 O75604 1/20 0.34
SLC6A2 P23975 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
SCHEMBL8621615 0.81 CCKBR (0.61) CCKBRMEN1KMT2A
SCHEMBL4424441 0.80 GAA (0.46) MEN1KMT2AHPGDSLC6A2
SCHEMBL8615202 0.79 CCKBR (0.61) CCKBRMEN1KMT2A
Dimethylamine SCHEMBL8639336 0.73 CCKBR (0.94) CCKBR
SCHEMBL4416338 0.71 GABRP (0.46) CCKBRMEN1KMT2AHPGDSLC6A2
SCHEMBL8621950 0.71 CCKBR (0.61) CCKBREPHX2
SCHEMBL8615476 0.71 CCKBR (0.46) CCKBRMEN1KMT2A
SCHEMBL8639332 0.69 CCKBR (0.73) CCKBR
SCHEMBL8638391 0.69 CCKBR (0.64) CCKBR
SCHEMBL9014101 0.68 CCKBR (0.50) CCKBREPHX2MEN1KMT2A

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-0558104-B1 1,5-Benzodiazepine derivatives and their use in medicine GLAXO WELLCOME SPA (IT) 1998-07-29 EP disclosed
EP-0623118-B1 CARBAMATE DERIVATIVES AND THEIR USE IN MEDICINE GLAXO WELLCOME SPA (IT) 1998-05-13 EP disclosed
US-5637697-A ANTAGONIST TO GASTRIN AND(OR) CHLOROCYSTOKININ GLAXO SPA (IT) 1997-06-10 US disclosed
US-5580895-A GASTROINTESTINAL OR CENTRAL NERVOUS SYSTEM DISORDERS GLAXO SPA (IT) 1996-12-03 US disclosed
US-5486514-A GASTRIN, CHOLECYSTOKININ RECEPTOR ANTAGONISTS GLAXO SPA (IT) 1996-01-23 US disclosed
EP-0558104-A1 1,5-Benzodiazepine derivatives and their use in medicine GLAXO S.p.A. (IT) 1993-09-01 EP disclosed