SCHEMBL9302067

SCHEMBL9302067

CN1C(=O)[C@H](NC(=O)Nc2cccc(C(=O)NS(=O)(=O)c3ccccc3)c2)N=C(C2CCCC2)c2ccccc21

nearest known ligand 0.98

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 20/20 0.98

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
SCHEMBL9303120 0.99 CCKBR (1.00) CCKBR
SCHEMBL9301932 0.99 CCKBR (1.00) CCKBR
SCHEMBL9302718 0.91 CCKBR (1.00) CCKBR
SCHEMBL9301584 0.90 CCKBR (1.00) CCKBR
SCHEMBL9302428 0.89 CCKBR (0.85) CCKBR
SCHEMBL9699974 0.89 CCKBR (0.83) CCKBR
SCHEMBL9302483 0.89 CCKBR (0.98) CCKBR
SCHEMBL9701151 0.89 CCKBR (1.00) CCKBR
SCHEMBL9304288 0.89 CCKBR (0.84) CCKBR
SCHEMBL8837624 0.89 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 2 patents. claimed = in the patent's claims; disclosed = body only.

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