SCHEMBL8619499

SCHEMBL8619499

O=C1CC(=O)N(c2ccccc2)c2ccccc2N1CC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 18/20 0.55
EPHX2 P34913 1/20 0.50
HPGD P15428 1/20 0.46

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
SCHEMBL9436139 0.97 CCKBR (0.53) CCKBREPHX2HPGD
SCHEMBL8638848 0.88 CCKBR (0.58) CCKBREPHX2HPGD
SCHEMBL8621950 0.80 CCKBR (0.61) CCKBREPHX2
SCHEMBL8616285 0.77 CCKBR (0.46) CCKBREPHX2HPGD
SCHEMBL14072264 0.77 EPHX2 (0.56) CCKBREPHX2
SCHEMBL4422153 0.75 HPGD (0.74) HPGD
SCHEMBL5398736 0.72 HPGD (0.53) CCKBRHPGD
SCHEMBL7044712 0.72 HPGD (0.53) CCKBRHPGD
SCHEMBL9014086 0.72 CCKBR (0.75) CCKBR
SCHEMBL7375453 0.72 CCKBR (1.00) CCKBR

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