SCHEMBL9302828

SCHEMBL9302828

Cc1cccc(NC(=O)N[C@@H]2N=C(C3CCC3)c3ccccc3N(C)C2=O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 20/20 1.00
KCNH2 Q12809 1/20 0.69

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
SCHEMBL14425311 0.97 CCKBR (1.00) CCKBR
SCHEMBL9301528 0.97 CCKBR (1.00) CCKBR
SCHEMBL14180441 0.88 CCKBR (0.84) CCKBR
SCHEMBL14180461 0.88 CCKBR (0.83) CCKBR
SCHEMBL9581762 0.88 CCKBR (0.83) CCKBR
SCHEMBL14180451 0.87 CCKBR (0.82) CCKBR
SCHEMBL14180466 0.87 CCKBR (0.82) CCKBR
SCHEMBL14180463 0.87 CCKBR (0.82) CCKBR
SCHEMBL9302886 0.86 CCKBR (1.00) CCKBR
SCHEMBL7545593 0.85 CCKBR (0.79) CCKBRKCNH2

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 3 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
EP-0514133-A1 Benzodiazepine derivatives, compositions containing them and their use in therapy MERCK SHARP & DOHME LTD. (GB) 1992-11-19 EP disclosed