SCHEMBL9501135

SCHEMBL9501135

CC(C)COC(=O)NCC1CN=C(c2ccccc2F)c2ccccc2N1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 7/20 0.64
OPRD1 P41143 3/20 0.62
OPRK1 P41145 3/20 0.62
OPRM1 P35372 2/20 0.54

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
SCHEMBL10803682 0.81 CCKBR (0.75) CCKBROPRD1OPRK1OPRM1
SCHEMBL9501142 0.79 CCKBR (0.47) CCKBROPRD1OPRK1OPRM1
SCHEMBL10800637 0.78 CCKBR (1.00) CCKBROPRD1OPRK1OPRM1
SCHEMBL10868746 0.78 CCKBR (0.68) CCKBROPRD1OPRK1OPRM1
SCHEMBL11144861 0.77 OPRD1 (0.73) CCKBROPRD1OPRK1OPRM1
SCHEMBL11138033 0.77 CCKBR (0.69) CCKBROPRD1OPRK1OPRM1
SCHEMBL10797831 0.77 CCKBR (1.00) CCKBROPRD1OPRK1OPRM1
SCHEMBL9499343 0.77 CCKBR (0.63) CCKBROPRD1OPRK1
Tifluadom SCHEMBL142030 0.77 OPRD1 (1.00) CCKBROPRD1OPRK1OPRM1
SCHEMBL11142682 0.77 CCKBR (0.74) CCKBROPRD1OPRK1OPRM1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0486271-A2 Cholecystokinin antagonists for treating neurological disorders MERCK & CO. INC. (US) 1992-05-20 EP claimed
US-4724237-A GASTROINTESTINAL, CENTRAL NERVOUS, AND APPETITE DISORDERS MERCK & CO., INC. (US) 1988-02-09 US claimed
EP-0166356-A2 2-Substituted-aminomethyl-1,4-benzodiazepines, process for their preparation and pharmaceutical compositions containing them MERCK & CO. INC. (US) 1986-01-02 EP claimed
US-5206238-A Cholecystokinin antagonists MERCK & CO., INC. (US) 1993-04-27 US disclosed
EP-0486271-A2 Cholecystokinin antagonists for treating neurological disorders MERCK & CO. INC. (US) 1992-05-20 EP disclosed
US-4724237-A GASTROINTESTINAL, CENTRAL NERVOUS, AND APPETITE DISORDERS MERCK & CO., INC. (US) 1988-02-09 US disclosed
EP-0166356-A2 2-Substituted-aminomethyl-1,4-benzodiazepines, process for their preparation and pharmaceutical compositions containing them MERCK & CO. INC. (US) 1986-01-02 EP disclosed