SCHEMBL9469880

SCHEMBL9469880

O=C(NC1N=C(c2ccccc2F)c2ccccc2NC1=S)OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 14/20 0.62
CCKAR P32238 7/20 0.50

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
SCHEMBL9525844 1.00 CCKBR (0.62) CCKBRCCKAR
SCHEMBL8682574 0.89 CCKBR (0.57) CCKBRCCKAR
SCHEMBL8682571 0.89 CCKBR (0.57) CCKBRCCKAR
SCHEMBL7094959 0.89 CCKBR (0.57) CCKBRCCKAR
SCHEMBL11961521 0.89 BRD4 (0.55) CCKBRCCKAR
SCHEMBL8536342 0.89 CCKBR (0.72) CCKBRCCKAR
SCHEMBL8536344 0.89 CCKBR (0.72) CCKBRCCKAR
SCHEMBL4424632 0.80 CCKBR (0.61) CCKBRCCKAR
SCHEMBL8683515 0.79 EPHX1 (0.44) CCKBR
SCHEMBL11981798 0.79 CCKBR (0.49) 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 11 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-5185331-A Administering to treat panic and anxiety disorders MERCK & CO., INC. (US) 1993-02-09 US disclosed
EP-0514125-A1 Triazolobenzodiazepines MERCK & CO. INC. (US) 1992-11-19 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
US-4663321-A GASTROINTESTINAL DISORDERS MERCK & CO., INC. (US) 1987-05-05 US disclosed
EP-0169392-A2 Triazolobenzodiazepines and pharmaceutical compositions containing them MERCK & CO. INC. (US) 1986-01-29 EP disclosed
EP-0167919-A2 Benzodiazepine derivatives and pharmaceutical compositions containing them MERCK & CO. INC. (US) 1986-01-15 EP disclosed