SCHEMBL8616780

SCHEMBL8616780

CC(C)(C)CCN1C(=O)C(N)C(=O)N(c2ccccc2F)c2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 16/20 0.61
MGLL Q99685 1/20 0.38
PARK7 Q99497 1/20 0.37

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
SCHEMBL8543405 0.85 CCKBR (0.60) CCKBR
SCHEMBL8620796 0.82 CCKBR (0.61) CCKBR
SCHEMBL8540648 0.81 CCKBR (0.63) CCKBRMGLL
SCHEMBL8634715 0.80 CCKBR (0.43) CCKBRMGLL
SCHEMBL8637563 0.76 CCKBR (1.00) CCKBR
SCHEMBL8619104 0.75 CCKBR (0.71) CCKBR
SCHEMBL4412748 0.72 CYP19A1 (0.38) CCKBR
SCHEMBL8946837 0.71 CCKBR (0.62) CCKBR
SCHEMBL8640894 0.70 CCKBR (1.00) CCKBR
SCHEMBL8897421 0.70 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