SCHEMBL9524932

SCHEMBL9524932

O=C(NCC1CNc2ccccc2C(c2ccccc2F)=N1)c1ccsc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 12/20 1.00
OPRD1 P41143 4/20 0.55
OPRK1 P41145 4/20 0.55
CCKAR P32238 4/20 0.49
OPRM1 P35372 3/20 0.49

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
SCHEMBL9526470 0.81 CCKBR (1.00) CCKBROPRD1OPRK1CCKAR
SCHEMBL9526475 0.81 CCKBR (1.00) CCKBROPRD1OPRK1CCKAR
SCHEMBL10861062 0.80 CCKBR (0.67) CCKBROPRD1OPRK1CCKAROPRM1
SCHEMBL9526313 0.77 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9526301 0.77 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9525369 0.75 CCKBR (0.77) CCKBRCCKAR
SCHEMBL9525361 0.75 CCKBR (0.77) CCKBRCCKAR
SCHEMBL9525572 0.75 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9525581 0.75 CCKBR (1.00) CCKBRCCKAR
SCHEMBL28297189 0.72 CCKBR (0.60) CCKBRCCKAR

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-0167919-B1 BENZODIAZEPINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK & CO. INC. (US) 1993-05-05 EP claimed
EP-0167919-A2 Benzodiazepine derivatives and pharmaceutical compositions containing them MERCK & CO. INC. (US) 1986-01-15 EP claimed
EP-0167919-B1 BENZODIAZEPINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK & CO. INC. (US) 1993-05-05 EP disclosed
US-5004741-A Cholecystokinin(CCK); Treating Disorders Of The Gastrointestinal Tract, Central Nervous System And Of The Appetite Of Animals MERCK & CO., INC. (US) 1991-04-02 US disclosed
US-4820834-A Benzodiazepine analogs MERCK & CO., INC. (US) 1989-04-11 US disclosed
EP-0284256-A1 Benzodiazepine analogs MERCK & CO. INC. (US) 1988-09-28 EP disclosed
EP-0167919-A2 Benzodiazepine derivatives and pharmaceutical compositions containing them MERCK & CO. INC. (US) 1986-01-15 EP disclosed