SCHEMBL9500460

SCHEMBL9500460

CN1c2ccccc2C(c2ccccc2F)NCC1CNC(=O)c1ccsc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 5/20 0.60
OPRK1 P41145 5/20 0.60
OPRM1 P35372 4/20 0.51
CCKBR P32239 6/20 0.47
CCKAR P32238 1/20 0.41
PLD2 O14939 1/20 0.36
EPHX2 P34913 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
SCHEMBL9499330 0.85 CCKBR (0.58) OPRD1OPRK1OPRM1CCKBRCCKAR
SCHEMBL9499432 0.84 OPRM1 (0.49) OPRD1OPRK1OPRM1CCKBR
SCHEMBL9501442 0.78 CCKBR (0.62) OPRK1CCKBRCCKAR
Tifluadom SCHEMBL142031 0.75 OPRD1 (1.00) OPRD1OPRK1OPRM1CCKBRCCKAR
Tifluadom SCHEMBL142030 0.75 OPRD1 (1.00) OPRD1OPRK1OPRM1CCKBRCCKAR
SCHEMBL9501031 0.74 CCKBR (0.64) OPRK1OPRM1CCKBRCCKAR
SCHEMBL9501463 0.73 LMNA (0.52) CCKBR
SCHEMBL9683424 0.71 CCKBR (0.38) OPRK1CCKBR
SCHEMBL9682641 0.69 CCKBR (0.37) CCKBR
SCHEMBL19249829 0.69 OPRD1 (0.84) OPRD1OPRK1OPRM1CCKBR

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-0486271-A2 Cholecystokinin antagonists for treating neurological disorders MERCK & CO. INC. (US) 1992-05-20 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