SCHEMBL8616738

SCHEMBL8616738

CC(C)CCN1C(=O)C(N)C(=O)N(c2ccccc2)c2ccc(F)cc21

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 13/20 0.60
PARK7 Q99497 2/20 0.39
CCKAR P32238 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
ALOX15 P16050 1/20 0.35

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
SCHEMBL8897135 0.96 CCKBR (0.65) CCKBRPARK7CCKARSMN1; SMN2
SCHEMBL8547144 0.87 CCKBR (0.60) CCKBRSMN1; SMN2
SCHEMBL8618681 0.87 CCKBR (0.65) CCKBRSMN1; SMN2
SCHEMBL8623451 0.84 CCKBR (0.64) CCKBRSMN1; SMN2
SCHEMBL9094829 0.83 CCKBR (0.61) CCKBRCCKAR
SCHEMBL8637386 0.82 CCKBR (0.65) CCKBRSMN1; SMN2
SCHEMBL8634884 0.79 CCKBR (0.93) CCKBRCCKAR
SCHEMBL8620657 0.78 CCKBR (0.68) CCKBRCCKAR
SCHEMBL8620796 0.78 CCKBR (0.61) CCKBR
SCHEMBL7041976 0.73 CCKBR (0.50) CCKBRCCKARSMN1; SMN2

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