SCHEMBL8637386

SCHEMBL8637386

CC(C)CCN1C(=O)C(N)C(=O)N(c2ccccc2)c2cc(Cl)ccc21

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 10/20 0.65
OPRK1 P41145 1/20 0.46
PDE4D Q08499 1/20 0.46
CHRM1 P11229 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.36
TP53 P04637 1/20 0.36
MDM2 Q00987 1/20 0.36

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 0.96 CCKBR (0.65) CCKBROPRK1PDE4DCHRM1SMN1; SMN2
SCHEMBL8623451 0.89 CCKBR (0.64) CCKBROPRK1PDE4DCHRM1SMN1; SMN2
SCHEMBL8547144 0.87 CCKBR (0.60) CCKBRSMN1; SMN2
SCHEMBL8897135 0.87 CCKBR (0.65) CCKBRSMN1; SMN2
SCHEMBL8616738 0.82 CCKBR (0.60) CCKBRSMN1; SMN2
SCHEMBL9793664 0.81 OPRK1 (0.60) CCKBROPRK1PDE4DCHRM1
SCHEMBL8638925 0.79 CCKBR (1.00) CCKBR
SCHEMBL8634816 0.75 CCKBR (1.00) CCKBR
SCHEMBL8615569 0.74 CCKBR (0.73) CCKBR
SCHEMBL7041976 0.73 CCKBR (0.50) CCKBRSMN1; 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 5 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
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
EP-0558104-A1 1,5-Benzodiazepine derivatives and their use in medicine GLAXO S.p.A. (IT) 1993-09-01 EP disclosed
WO-1993014074-A1 1,5-BENZODIAZEPINE DERIVATIVES AND THEIR USE IN MEDICINE GLAXO SPA (IT) 1993-07-22 WO disclosed