SCHEMBL9302341

SCHEMBL9302341

CN1C(=O)C(NC(=O)Oc2ccc([N+](=O)[O-])cc2)N=C(C2CCCC2)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 19/20 0.54

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
SCHEMBL9302350 1.00 CCKBR (0.54) CCKBR
SCHEMBL9302348 1.00 CCKBR (0.54) CCKBR
SCHEMBL8824748 0.99 CCKBR (0.55) CCKBR
SCHEMBL8824752 0.99 CCKBR (0.55) CCKBR
SCHEMBL8824789 0.99 CCKBR (0.55) CCKBR
SCHEMBL8824785 0.99 CCKBR (0.55) CCKBR
SCHEMBL8824746 0.99 CCKBR (0.55) CCKBR
SCHEMBL8824782 0.99 CCKBR (0.55) CCKBR
SCHEMBL9301987 0.89 BDKRB1 (0.53) CCKBR
SCHEMBL9301992 0.89 BDKRB1 (0.53) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5360802-A Antagonists of cholecystokinin and gastrin MERCK SHARPE & DOHME LTD. 1994-11-01 US disclosed
EP-0514133-A1 Benzodiazepine derivatives, compositions containing them and their use in therapy MERCK SHARP & DOHME LTD. (GB) 1992-11-19 EP disclosed