SCHEMBL7207460

SCHEMBL7207460

CN1C(=O)[C@H](NC(=O)O)N=C(c2ccccc2)c2ccccc21

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 17/20 0.78
CCKAR P32238 4/20 0.72

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
SCHEMBL2927644 1.00 CCKBR (0.78) CCKBRCCKAR
SCHEMBL7213169 0.89 CCKBR (0.85) CCKBRCCKAR
SCHEMBL9868120 0.88 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9864930 0.88 CCKBR (1.00) CCKBRCCKAR
SCHEMBL29437013 0.88 HDAC3 (0.75) CCKBRCCKAR
SCHEMBL9868116 0.88 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9864922 0.88 CCKBR (1.00) CCKBRCCKAR
SCHEMBL8617432 0.88 HDAC3 (0.75) CCKBRCCKAR
SCHEMBL29499518 0.88 HDAC3 (0.75) CCKBRCCKAR
SCHEMBL9866668 0.88 CCKBR (1.00) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0907644-A4 PHARMACEUTICAL PREPARATION MERCK & CO INC (US) 2003-02-05 EP disclosed
EP-0907644-A1 PHARMACEUTICAL PREPARATION Merck & Co., Inc. (US) 1999-04-14 EP disclosed
WO-1998000405-A1 PHARMACEUTICAL PREPARATION MERCK & CO., INC. (US) 1998-01-08 WO disclosed
CN-1142184-A Antiarrhythmic benzodiazepines * MERCK & CO INC (US) 1997-02-05 CN disclosed