SCHEMBL8623451

SCHEMBL8623451

CC(C)CCN1C(=O)C(N)C(=O)N(c2ccccc2)c2cc(Cl)c(Cl)cc21

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 11/20 0.64
SMN1; SMN2 Q16637 1/20 0.38
CHRM1 P11229 1/20 0.36
OPRK1 P41145 1/20 0.34
PDE4D Q08499 1/20 0.34

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
SCHEMBL8618681 0.89 CCKBR (0.65) CCKBRSMN1; SMN2CHRM1OPRK1PDE4D
SCHEMBL8637386 0.89 CCKBR (0.65) CCKBRSMN1; SMN2CHRM1OPRK1PDE4D
SCHEMBL8547144 0.87 CCKBR (0.60) CCKBRSMN1; SMN2
SCHEMBL8897135 0.84 CCKBR (0.65) CCKBRSMN1; SMN2
SCHEMBL8616738 0.84 CCKBR (0.60) CCKBRSMN1; SMN2
SCHEMBL8621834 0.82 CCKBR (0.49) CCKBRCHRM1
SCHEMBL8639233 0.78 CCKBR (1.00) CCKBR
SCHEMBL8616304 0.78 CCKBR (0.72) CCKBR
SCHEMBL8621915 0.73 CCKBR (0.66) CCKBR
SCHEMBL8616174 0.73 CCKBR (0.66) 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