SCHEMBL9422957

SCHEMBL9422957

CN1C(=O)C(NC(=O)Oc2ccc([N+](=O)[O-])cc2)N=C(c2ccccc2)c2ccccc21

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 17/20 0.74
CCKAR P32238 2/20 0.55

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
SCHEMBL9422961 1.00 CCKBR (0.74) CCKBRCCKAR
SCHEMBL9423126 1.00 CCKBR (0.74) CCKBRCCKAR
SCHEMBL9866235 0.89 CCKBR (0.59) CCKBRCCKAR
SCHEMBL9866438 0.85 CCKBR (1.00) CCKBR
SCHEMBL3888484 0.84 KCNH2 (0.59) CCKBR
SCHEMBL14179828 0.83 CCKBR (0.73) CCKBR
SCHEMBL9302350 0.83 CCKBR (0.54) CCKBR
SCHEMBL9302341 0.83 CCKBR (0.54) CCKBR
SCHEMBL9302348 0.83 CCKBR (0.54) CCKBR
SCHEMBL8824746 0.82 CCKBR (0.55) 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
US-5324726-A Gastrointestinal disorders, synergistic compound for analgesic MERCK & CO., INC. (US) 1994-06-28 US disclosed
EP-0523845-A2 New benzodiazepine analogs MERCK & CO. INC. (US) 1993-01-20 EP disclosed
EP-0490590-A1 New benzodiazepine analogs MERCK & CO. INC. (US) 1992-06-17 EP disclosed
EP-0434369-A1 New benzodiazepine analogs MERCK & CO. INC. (US) 1991-06-26 EP disclosed
EP-0434364-A2 Benzodiazepine analogs for treating panic syndrome and for directly inducing analgesia MERCK & CO. INC. (US) 1991-06-26 EP disclosed
EP-0434360-A1 New benziodiazepine analogs MERCK & CO. INC. (US) 1991-06-26 EP disclosed