SCHEMBL9526426

SCHEMBL9526426

O=C(NC[C@@H]1N=C(c2ccccc2F)c2ccccc2NC1=O)OCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 7/20 1.00
TRPV1 Q8NER1 1/20 0.51

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
SCHEMBL9526421 1.00 CCKBR (1.00) CCKBRTRPV1
SCHEMBL8536344 0.84 CCKBR (0.72) CCKBR
SCHEMBL8536342 0.84 CCKBR (0.72) CCKBR
SCHEMBL9525581 0.81 CCKBR (1.00) CCKBR
SCHEMBL9525572 0.81 CCKBR (1.00) CCKBR
SCHEMBL9866157 0.79 CCKBR (0.68) CCKBR
SCHEMBL9525844 0.77 CCKBR (0.62) CCKBR
SCHEMBL9469880 0.77 CCKBR (0.62) CCKBR
SCHEMBL13862626 0.76 TRPV1 (0.68) CCKBRTRPV1
SCHEMBL4424632 0.76 CCKBR (0.61) 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-0167919-B1 BENZODIAZEPINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK & CO. INC. (US) 1993-05-05 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